1-(1H-indol-3-yl)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one

Systemtic Name: 1-(1H-indol-3-yl)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Openeye Name: 1-(1H-indol-3-yl)-2-[[4-methyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one CAS Name: 1-(1H-indol-3-yl)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-propanone IUPAC Name: 1-(1H-indol-3-yl)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Traditional Name: 1-(1H-indol-3-yl)-2-[[4-methyl-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]propan-1-one Formula: C21H20N4OS MolecularWeight: 376.4747

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2C)SC(C)C(=O)C3=CNC4=CC=CC=C43

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C)SC(C)C(=O)C3=CNC4=CC=CC=C43

InChI

InChI=1S/C21H20N4OS/c1-13-8-10-15(11-9-13)20-23-24-21(25(20)3)27-14(2)19(26)17-12-22-18-7-5-4-6-16(17)18/h4-12,14,22H,1-3H3