2-[[5-(3-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(1H-pyrrol-2-yl)ethanone

Systemtic Name: 2-[[5-(3-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(1H-pyrrol-2-yl)ethanone Openeye Name: 2-[[5-(m-tolyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(1H-pyrrol-2-yl)ethanone CAS Name: 2-[[5-(3-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-(1H-pyrrol-2-yl)ethanone IUPAC Name: 2-[[5-(3-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(1H-pyrrol-2-yl)ethanone Traditional Name: 2-[[5-(m-tolyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-(1H-pyrrol-2-yl)ethanone Formula: C21H18N4OS MolecularWeight: 374.45882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)C4=CC=CN4

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)C4=CC=CN4

InChI

InChI=1S/C21H18N4OS/c1-15-7-5-8-16(13-15)20-23-24-21(25(20)17-9-3-2-4-10-17)27-14-19(26)18-11-6-12-22-18/h2-13,22H,14H2,1H3