(2S)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethoxyphenyl)propanamide

Systemtic Name: (2S)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethoxyphenyl)propanamide Openeye Name: (2S)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethoxyphenyl)propanamide CAS Name: (2S)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)thio]-N-(4-ethoxyphenyl)propanamide IUPAC Name: (2S)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethoxyphenyl)propanamide Traditional Name: (2S)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)thio]-N-p-phenetyl-propionamide Formula: C17H22N4O2S MolecularWeight: 346.44718

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C(C)SC2=NN=C(N2C3CC3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)[C@H](C)SC2=NN=C(N2C3CC3)C

InChI

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