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ethyl 1-[4-[[5-[(4-methylphenyl)methyl]-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]butanoyl]piperidine-4-carboxylate

ethyl 1-[4-[[5-[(4-methylphenyl)methyl]-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]butanoyl]piperidine-4-carboxylate

Systemtic Name:ethyl 1-[4-[[5-[(4-methylphenyl)methyl]-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]butanoyl]piperidine-4-carboxylate
Openeye Name:ethyl 1-[4-[[5-(p-tolylmethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]butanoyl]piperidine-4-carboxylate
CAS Name:1-[4-[[5-[(4-methylphenyl)methyl]-[1,2,4]triazino[5,6-b]indol-3-yl]thio]-1-oxobutyl]-4-piperidinecarboxylic acid ethyl ester
IUPAC Name:ethyl 1-[4-[[5-[(4-methylphenyl)methyl]-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]butanoyl]piperidine-4-carboxylate
Traditional Name:1-[4-[[5-(4-methylbenzyl)-[1,2,4]triazin[5,6-b]indol-3-yl]thio]butanoyl]isonipecotic acid ethyl ester
Formula: C29H33N5O3S
MolecularWeight: 531.66902
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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CCCSC2=NC3=C(C4=CC=CC=C4N3CC5=CC=C(C=C5)C)N=N2


Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CCCSC2=NC3=C(C4=CC=CC=C4N3CC5=CC=C(C=C5)C)N=N2


InChI

InChI=1S/C29H33N5O3S/c1-3-37-28(36)22-14-16-33(17-15-22)25(35)9-6-18-38-29-30-27-26(31-32-29)23-7-4-5-8-24(23)34(27)19-21-12-10-20(2)11-13-21/h4-5,7-8,10-13,22H,3,6,9,14-19H2,1-2H3


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