1-(1H-indol-3-yl)-2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one

Systemtic Name: 1-(1H-indol-3-yl)-2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Openeye Name: 1-(1H-indol-3-yl)-2-[[4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one CAS Name: 1-(1H-indol-3-yl)-2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-propanone IUPAC Name: 1-(1H-indol-3-yl)-2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Traditional Name: 1-(1H-indol-3-yl)-2-[[4-(o-tolyl)-1,2,4-triazol-3-yl]thio]propan-1-one Formula: C20H18N4OS MolecularWeight: 362.44812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=NN=C2SC(C)C(=O)C3=CNC4=CC=CC=C43

Isomeric SMILES

CC1=CC=CC=C1N2C=NN=C2SC(C)C(=O)C3=CNC4=CC=CC=C43

InChI

InChI=1S/C20H18N4OS/c1-13-7-3-6-10-18(13)24-12-22-23-20(24)26-14(2)19(25)16-11-21-17-9-5-4-8-15(16)17/h3-12,14,21H,1-2H3