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

Systemtic Name: 3-[4-cyclopropyl-5-[2-(2,5-diethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[4-cyclopropyl-5-[2-(2,5-diethylphenyl)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-cyclopropyl-5-[[2-(2,5-diethylphenyl)-2-oxoethyl]thio]-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[4-cyclopropyl-5-[2-(2,5-diethylphenyl)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[4-cyclopropyl-5-[[2-(2,5-diethylphenyl)-2-keto-ethyl]thio]-1,2,4-triazol-3-yl]propionamide Formula: C20H26N4O2S MolecularWeight: 386.51104

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)CC)C(=O)CSC2=NN=C(N2C3CC3)CCC(=O)N

Isomeric SMILES

CCC1=CC(=C(C=C1)CC)C(=O)CSC2=NN=C(N2C3CC3)CCC(=O)N

InChI

InChI=1S/C20H26N4O2S/c1-3-13-5-6-14(4-2)16(11-13)17(25)12-27-20-23-22-19(10-9-18(21)26)24(20)15-7-8-15/h5-6,11,15H,3-4,7-10,12H2,1-2H3,(H2,21,26)