N-(3-methylbutan-2-yl)-5-[[8-methyl-5-[(4-methylphenyl)methyl]-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]pentanamide

Systemtic Name: N-(3-methylbutan-2-yl)-5-[[8-methyl-5-[(4-methylphenyl)methyl]-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]pentanamide Openeye Name: N-(1,2-dimethylpropyl)-5-[[8-methyl-5-(p-tolylmethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]pentanamide CAS Name: N-(3-methylbutan-2-yl)-5-[[8-methyl-5-[(4-methylphenyl)methyl]-[1,2,4]triazino[5,6-b]indol-3-yl]thio]pentanamide IUPAC Name: N-(3-methylbutan-2-yl)-5-[[8-methyl-5-[(4-methylphenyl)methyl]-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]pentanamide Traditional Name: N-(1,2-dimethylpropyl)-5-[[8-methyl-5-(4-methylbenzyl)-[1,2,4]triazin[5,6-b]indol-3-yl]thio]valeramide Formula: C28H35N5OS MolecularWeight: 489.6754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)C)C4=C2N=C(N=N4)SCCCCC(=O)NC(C)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)C)C4=C2N=C(N=N4)SCCCCC(=O)NC(C)C(C)C

InChI

InChI=1S/C28H35N5OS/c1-18(2)21(5)29-25(34)8-6-7-15-35-28-30-27-26(31-32-28)23-16-20(4)11-14-24(23)33(27)17-22-12-9-19(3)10-13-22/h9-14,16,18,21H,6-8,15,17H2,1-5H3,(H,29,34)