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

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

CC1CN(CCN1C(=O)C2=CC=CC=C2Cl)C(=O)CCCSC3=NC4=C(C5=CC=CC=C5N4CC6=CC=CC(=C6)C)N=N3

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC=CC=C2Cl)C(=O)CCCSC3=NC4=C(C5=CC=CC=C5N4CC6=CC=CC(=C6)C)N=N3

InChI

InChI=1S/C33H33ClN6O2S/c1-22-9-7-10-24(19-22)21-40-28-14-6-4-12-26(28)30-31(40)35-33(37-36-30)43-18-8-15-29(41)38-16-17-39(23(2)20-38)32(42)25-11-3-5-13-27(25)34/h3-7,9-14,19,23H,8,15-18,20-21H2,1-2H3