1-[4-(4-chlorophenyl)carbonyl-3-methyl-piperazin-1-yl]-2-[[5-[(2-methylphenyl)methyl]-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]butan-1-one

Systemtic Name: 1-[4-(4-chlorophenyl)carbonyl-3-methyl-piperazin-1-yl]-2-[[5-[(2-methylphenyl)methyl]-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]butan-1-one Openeye Name: 1-[4-(4-chlorobenzoyl)-3-methyl-piperazin-1-yl]-2-[[5-(o-tolylmethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]butan-1-one CAS Name: 1-[4-[(4-chlorophenyl)-oxomethyl]-3-methyl-1-piperazinyl]-2-[[5-[(2-methylphenyl)methyl]-[1,2,4]triazino[5,6-b]indol-3-yl]thio]-1-butanone IUPAC Name: 1-[4-(4-chlorobenzoyl)-3-methylpiperazin-1-yl]-2-[[5-[(2-methylphenyl)methyl]-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]butan-1-one Traditional Name: 1-[4-(4-chlorobenzoyl)-3-methyl-piperazino]-2-[[5-(2-methylbenzyl)-[1,2,4]triazin[5,6-b]indol-3-yl]thio]butan-1-one Formula: C33H33ClN6O2S MolecularWeight: 613.17212

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCN(C(C1)C)C(=O)C2=CC=C(C=C2)Cl)SC3=NC4=C(C5=CC=CC=C5N4CC6=CC=CC=C6C)N=N3

Isomeric SMILES

CCC(C(=O)N1CCN(C(C1)C)C(=O)C2=CC=C(C=C2)Cl)SC3=NC4=C(C5=CC=CC=C5N4CC6=CC=CC=C6C)N=N3

InChI

InChI=1S/C33H33ClN6O2S/c1-4-28(32(42)38-17-18-39(22(3)19-38)31(41)23-13-15-25(34)16-14-23)43-33-35-30-29(36-37-33)26-11-7-8-12-27(26)40(30)20-24-10-6-5-9-21(24)2/h5-16,22,28H,4,17-20H2,1-3H3