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

Systemtic Name: 3-[3-cyclopropyl-5-[2-(4-ethoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-4-yl]propanamide Openeye Name: 3-[3-cyclopropyl-5-[2-(4-ethoxyphenyl)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-cyclopropyl-5-[[2-(4-ethoxyphenyl)-2-oxoethyl]thio]-1,2,4-triazol-4-yl]propanamide IUPAC Name: 3-[3-cyclopropyl-5-[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanyl-1,2,4-triazol-4-yl]propanamide Traditional Name: 3-[3-cyclopropyl-5-[(2-keto-2-p-phenetyl-ethyl)thio]-1,2,4-triazol-4-yl]propionamide Formula: C18H22N4O3S MolecularWeight: 374.45728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2CCC(=O)N)C3CC3

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2CCC(=O)N)C3CC3

InChI

InChI=1S/C18H22N4O3S/c1-2-25-14-7-5-12(6-8-14)15(23)11-26-18-21-20-17(13-3-4-13)22(18)10-9-16(19)24/h5-8,13H,2-4,9-11H2,1H3,(H2,19,24)