3-[3-[(5-chloranyl-2-methoxy-phenyl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide

Systemtic Name: 3-[3-[(5-chloranyl-2-methoxy-phenyl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide Openeye Name: 3-[3-[(5-chloro-2-methoxy-phenyl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-[(5-chloro-2-methoxyphenyl)methylthio]-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide IUPAC Name: 3-[3-[(5-chloro-2-methoxyphenyl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide Traditional Name: 3-[3-[(5-chloro-2-methoxy-benzyl)thio]-5-cyclopropyl-1,2,4-triazol-4-yl]propionamide Formula: C16H19ClN4O2S MolecularWeight: 366.86566

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)CSC2=NN=C(N2CCC(=O)N)C3CC3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)CSC2=NN=C(N2CCC(=O)N)C3CC3

InChI

InChI=1S/C16H19ClN4O2S/c1-23-13-5-4-12(17)8-11(13)9-24-16-20-19-15(10-2-3-10)21(16)7-6-14(18)22/h4-5,8,10H,2-3,6-7,9H2,1H3,(H2,18,22)