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

Systemtic Name: 1-(3-chlorophenyl)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: 1-(3-chlorophenyl)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one CAS Name: 1-(3-chlorophenyl)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: 1-(3-chlorophenyl)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: 1-(3-chlorophenyl)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]propan-1-one Formula: C20H18ClN3OS MolecularWeight: 383.89442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC(=CC=C1)Cl)SC2=NN=C(N2C3=CC=CC=C3)C4CC4

Isomeric SMILES

CC(C(=O)C1=CC(=CC=C1)Cl)SC2=NN=C(N2C3=CC=CC=C3)C4CC4

InChI

InChI=1S/C20H18ClN3OS/c1-13(18(25)15-6-5-7-16(21)12-15)26-20-23-22-19(14-10-11-14)24(20)17-8-3-2-4-9-17/h2-9,12-14H,10-11H2,1H3