1-(3-chloranyl-4-methoxy-phenyl)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(3-chloranyl-4-methoxy-phenyl)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(3-chloro-4-methoxy-phenyl)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(3-chloro-4-methoxyphenyl)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(3-chloro-4-methoxyphenyl)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(3-chloro-4-methoxy-phenyl)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C15H16ClN3O2S MolecularWeight: 337.82444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CC2)SCC(=O)C3=CC(=C(C=C3)OC)Cl

Isomeric SMILES

CC1=NN=C(N1C2CC2)SCC(=O)C3=CC(=C(C=C3)OC)Cl

InChI

InChI=1S/C15H16ClN3O2S/c1-9-17-18-15(19(9)11-4-5-11)22-8-13(20)10-3-6-14(21-2)12(16)7-10/h3,6-7,11H,4-5,8H2,1-2H3