3-[5-[(2S)-1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[5-[(2S)-1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-[(1S)-2-(4-ethylphenyl)-1-methyl-2-oxo-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-[[(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl]thio]-4-methyl-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-[(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[[(1S)-2-(4-ethylphenyl)-2-keto-1-methyl-ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]propionamide Formula: C17H22N4O2S MolecularWeight: 346.44718

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)SC2=NN=C(N2C)CCC(=O)N

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)[C@H](C)SC2=NN=C(N2C)CCC(=O)N

InChI

InChI=1S/C17H22N4O2S/c1-4-12-5-7-13(8-6-12)16(23)11(2)24-17-20-19-15(21(17)3)10-9-14(18)22/h5-8,11H,4,9-10H2,1-3H3,(H2,18,22)/t11-/m0/s1