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

Systemtic Name: 1-(3-chlorophenyl)-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: 1-(3-chlorophenyl)-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one CAS Name: 1-(3-chlorophenyl)-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: 1-(3-chlorophenyl)-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: 1-(3-chlorophenyl)-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]propan-1-one Formula: C14H14ClN3OS MolecularWeight: 307.79846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC(=CC=C1)Cl)SC2=NNC(=N2)C3CC3

Isomeric SMILES

CC(C(=O)C1=CC(=CC=C1)Cl)SC2=NNC(=N2)C3CC3

InChI

InChI=1S/C14H14ClN3OS/c1-8(12(19)10-3-2-4-11(15)7-10)20-14-16-13(17-18-14)9-5-6-9/h2-4,7-9H,5-6H2,1H3,(H,16,17,18)