1-[4-(2,4-dichlorophenyl)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-(2,4-dichlorophenyl)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-(2,4-dichlorobenzoyl)-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-[(2,4-dichlorophenyl)-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-(2,4-dichlorobenzoyl)-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-(2,4-dichlorobenzoyl)-3-methyl-piperazino]-4-[[5-(3-methylbenzyl)-[1,2,4]triazin[5,6-b]indol-3-yl]thio]butan-1-one Formula: C33H32Cl2N6O2S MolecularWeight: 647.61718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H32Cl2N6O2S/c1-21-7-5-8-23(17-21)20-41-28-10-4-3-9-26(28)30-31(41)36-33(38-37-30)44-16-6-11-29(42)39-14-15-40(22(2)19-39)32(43)25-13-12-24(34)18-27(25)35/h3-5,7-10,12-13,17-18,22H,6,11,14-16,19-20H2,1-2H3