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

Systemtic Name: N-(3-methylbutyl)-4-[[5-[(3-methylphenyl)methyl]-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]butanamide Openeye Name: N-isopentyl-4-[[5-(m-tolylmethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]butanamide CAS Name: N-(3-methylbutyl)-4-[[5-[(3-methylphenyl)methyl]-[1,2,4]triazino[5,6-b]indol-3-yl]thio]butanamide IUPAC Name: N-(3-methylbutyl)-4-[[5-[(3-methylphenyl)methyl]-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]butanamide Traditional Name: N-isoamyl-4-[[5-(3-methylbenzyl)-[1,2,4]triazin[5,6-b]indol-3-yl]thio]butyramide Formula: C26H31N5OS MolecularWeight: 461.62224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=CC=CC=C3C4=C2N=C(N=N4)SCCCC(=O)NCCC(C)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=CC=CC=C3C4=C2N=C(N=N4)SCCCC(=O)NCCC(C)C

InChI

InChI=1S/C26H31N5OS/c1-18(2)13-14-27-23(32)12-7-15-33-26-28-25-24(29-30-26)21-10-4-5-11-22(21)31(25)17-20-9-6-8-19(3)16-20/h4-6,8-11,16,18H,7,12-15,17H2,1-3H3,(H,27,32)