4-[1-[[5-(aminomethyl)-2-sulfanyl-phenyl]methyl]indol-3-yl]-3-(1-methylindol-3-yl)-2-oxidanylidene-1H-imidazole-5-carbonitrile

Systemtic Name: 4-[1-[[5-(aminomethyl)-2-sulfanyl-phenyl]methyl]indol-3-yl]-3-(1-methylindol-3-yl)-2-oxidanylidene-1H-imidazole-5-carbonitrile Openeye Name: 4-[1-[[5-(aminomethyl)-2-sulfanyl-phenyl]methyl]indol-3-yl]-3-(1-methylindol-3-yl)-2-oxo-1H-imidazole-5-carbonitrile CAS Name: 4-[1-[[5-(aminomethyl)-2-mercaptophenyl]methyl]-3-indolyl]-3-(1-methyl-3-indolyl)-2-oxo-1H-imidazole-5-carbonitrile IUPAC Name: 4-[1-[[5-(aminomethyl)-2-sulfanylphenyl]methyl]indol-3-yl]-3-(1-methylindol-3-yl)-2-oxo-1H-imidazole-5-carbonitrile Traditional Name: 5-[1-[5-(aminomethyl)-2-mercapto-benzyl]indol-3-yl]-2-keto-1-(1-methylindol-3-yl)-4-imidazoline-4-carbonitrile Formula: C29H24N6OS MolecularWeight: 504.60546

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)N3C(=C(NC3=O)C#N)C4=CN(C5=CC=CC=C54)CC6=C(C=CC(=C6)CN)S

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)N3C(=C(NC3=O)C#N)C4=CN(C5=CC=CC=C54)CC6=C(C=CC(=C6)CN)S

InChI

InChI=1S/C29H24N6OS/c1-33-17-26(21-7-3-4-8-24(21)33)35-28(23(14-31)32-29(35)36)22-16-34(25-9-5-2-6-20(22)25)15-19-12-18(13-30)10-11-27(19)37/h2-12,16-17,37H,13,15,30H2,1H3,(H,32,36)