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

Systemtic Name: 1-(4-chlorophenyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: 1-(4-chlorophenyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one CAS Name: 1-(4-chlorophenyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: 1-(4-chlorophenyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: 1-(4-chlorophenyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]propan-1-one Formula: C17H18ClN3OS MolecularWeight: 347.86232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)Cl)SC2=NN=C(N2C3CC3)C4CC4

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)Cl)SC2=NN=C(N2C3CC3)C4CC4

InChI

InChI=1S/C17H18ClN3OS/c1-10(15(22)11-4-6-13(18)7-5-11)23-17-20-19-16(12-2-3-12)21(17)14-8-9-14/h4-7,10,12,14H,2-3,8-9H2,1H3