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

Systemtic Name: 3-[4-cyclopropyl-5-[1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[4-cyclopropyl-5-[1-methyl-2-oxo-2-(p-tolyl)ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-cyclopropyl-5-[[1-(4-methylphenyl)-1-oxopropan-2-yl]thio]-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[4-cyclopropyl-5-[1-(4-methylphenyl)-1-oxopropan-2-yl]sulfanyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[4-cyclopropyl-5-[[2-keto-1-methyl-2-(p-tolyl)ethyl]thio]-1,2,4-triazol-3-yl]propionamide Formula: C18H22N4O2S MolecularWeight: 358.45788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C)SC2=NN=C(N2C3CC3)CCC(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C(C)SC2=NN=C(N2C3CC3)CCC(=O)N

InChI

InChI=1S/C18H22N4O2S/c1-11-3-5-13(6-4-11)17(24)12(2)25-18-21-20-16(10-9-15(19)23)22(18)14-7-8-14/h3-6,12,14H,7-10H2,1-2H3,(H2,19,23)