4-[[5-[(3-chlorophenyl)methyl]-8-methyl-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]-1-[4-(phenylmethyl)piperazin-1-yl]butan-1-one

Systemtic Name: 4-[[5-[(3-chlorophenyl)methyl]-8-methyl-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]-1-[4-(phenylmethyl)piperazin-1-yl]butan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-4-[[5-[(3-chlorophenyl)methyl]-8-methyl-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]butan-1-one CAS Name: 4-[[5-[(3-chlorophenyl)methyl]-8-methyl-[1,2,4]triazino[5,6-b]indol-3-yl]thio]-1-[4-(phenylmethyl)-1-piperazinyl]-1-butanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-4-[[5-[(3-chlorophenyl)methyl]-8-methyl-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]butan-1-one Traditional Name: 1-(4-benzylpiperazino)-4-[[5-(3-chlorobenzyl)-8-methyl-[1,2,4]triazin[5,6-b]indol-3-yl]thio]butan-1-one Formula: C32H33ClN6OS MolecularWeight: 585.16202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C3=C2N=NC(=N3)SCCCC(=O)N4CCN(CC4)CC5=CC=CC=C5)CC6=CC(=CC=C6)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)N(C3=C2N=NC(=N3)SCCCC(=O)N4CCN(CC4)CC5=CC=CC=C5)CC6=CC(=CC=C6)Cl

InChI

InChI=1S/C32H33ClN6OS/c1-23-12-13-28-27(19-23)30-31(39(28)22-25-9-5-10-26(33)20-25)34-32(36-35-30)41-18-6-11-29(40)38-16-14-37(15-17-38)21-24-7-3-2-4-8-24/h2-5,7-10,12-13,19-20H,6,11,14-18,21-22H2,1H3