3-[[(5Z)-5-indol-3-ylidene-4-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: 3-[[(5Z)-5-indol-3-ylidene-4-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 3-[[(5Z)-5-indol-3-ylidene-4-(m-tolyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: 3-[[(5Z)-5-(3-indolylidene)-4-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: 3-[[(5Z)-5-indol-3-ylidene-4-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: 3-[[(5Z)-5-indol-3-ylidene-4-(m-tolyl)-1H-1,2,4-triazol-3-yl]thio]propionamide Formula: C20H19N5OS MolecularWeight: 377.46276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=C3C=NC4=CC=CC=C43)NN=C2SCCC(=O)N

Isomeric SMILES

CC1=CC(=CC=C1)N2/C(=C\3/C=NC4=CC=CC=C43)/NN=C2SCCC(=O)N

InChI

InChI=1S/C20H19N5OS/c1-13-5-4-6-14(11-13)25-19(23-24-20(25)27-10-9-18(21)26)16-12-22-17-8-3-2-7-15(16)17/h2-8,11-12,23H,9-10H2,1H3,(H2,21,26)/b19-16-