3-[3-cyclopropyl-5-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-4-yl]propanamide

Systemtic Name: 3-[3-cyclopropyl-5-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-4-yl]propanamide Openeye Name: 3-[3-cyclopropyl-5-[2-(3-methoxyphenyl)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-cyclopropyl-5-[[2-(3-methoxyphenyl)-2-oxoethyl]thio]-1,2,4-triazol-4-yl]propanamide IUPAC Name: 3-[3-cyclopropyl-5-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl-1,2,4-triazol-4-yl]propanamide Traditional Name: 3-[3-cyclopropyl-5-[[2-keto-2-(3-methoxyphenyl)ethyl]thio]-1,2,4-triazol-4-yl]propionamide Formula: C17H20N4O3S MolecularWeight: 360.4307

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O3S/c1-24-13-4-2-3-12(9-13)14(22)10-25-17-20-19-16(11-5-6-11)21(17)8-7-15(18)23/h2-4,9,11H,5-8,10H2,1H3,(H2,18,23)