2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-propan-1-one

Systemtic Name: 2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-propan-1-one Openeye Name: 2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-propan-1-one CAS Name: 2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-phenyl-1-propanone IUPAC Name: 2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylpropan-1-one Traditional Name: 2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-phenyl-propan-1-one Formula: C18H16ClN3OS MolecularWeight: 357.85714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=CC=C1)SC2=NN=C(N2C)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C(=O)C1=CC=CC=C1)SC2=NN=C(N2C)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H16ClN3OS/c1-12(16(23)13-6-4-3-5-7-13)24-18-21-20-17(22(18)2)14-8-10-15(19)11-9-14/h3-12H,1-2H3