N-(3-methylphenyl)-2-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(3-methylphenyl)-2-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanamide Openeye Name: N-(m-tolyl)-2-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide CAS Name: N-(3-methylphenyl)-2-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]acetamide IUPAC Name: N-(3-methylphenyl)-2-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide Traditional Name: N-(m-tolyl)-2-[(5-propyl-[1,2,4]triazin[5,6-b]indol-3-yl)thio]acetamide Formula: C21H21N5OS MolecularWeight: 391.48934

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)NC4=CC=CC(=C4)C

Isomeric SMILES

CCCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)NC4=CC=CC(=C4)C

InChI

InChI=1S/C21H21N5OS/c1-3-11-26-17-10-5-4-9-16(17)19-20(26)23-21(25-24-19)28-13-18(27)22-15-8-6-7-14(2)12-15/h4-10,12H,3,11,13H2,1-2H3,(H,22,27)