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

Systemtic Name: 1-(4-methylphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: 2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(p-tolyl)propan-1-one CAS Name: 1-(4-methylphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: 1-(4-methylphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: 2-[(4-phenyl-1,2,4-triazol-3-yl)thio]-1-(p-tolyl)propan-1-one Formula: C18H17N3OS MolecularWeight: 323.41208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C)SC2=NN=CN2C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C(C)SC2=NN=CN2C3=CC=CC=C3

InChI

InChI=1S/C18H17N3OS/c1-13-8-10-15(11-9-13)17(22)14(2)23-18-20-19-12-21(18)16-6-4-3-5-7-16/h3-12,14H,1-2H3