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

Systemtic Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenyl-propan-1-one Openeye Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenyl-propan-1-one CAS Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-1-phenyl-1-propanone IUPAC Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylpropan-1-one Traditional Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-1-phenyl-propan-1-one Formula: C20H19N3OS MolecularWeight: 349.44936

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=CC=C1)SC2=NN(C(=N2)C3CC3)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)C1=CC=CC=C1)SC2=NN(C(=N2)C3CC3)C4=CC=CC=C4

InChI

InChI=1S/C20H19N3OS/c1-14(18(24)15-8-4-2-5-9-15)25-20-21-19(16-12-13-16)23(22-20)17-10-6-3-7-11-17/h2-11,14,16H,12-13H2,1H3