(2S)-2-[(4-cyclopropyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-ethyl-N-(phenylmethyl)propanamide

Systemtic Name: (2S)-2-[(4-cyclopropyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-ethyl-N-(phenylmethyl)propanamide Openeye Name: (2S)-N-benzyl-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-ethyl-propanamide CAS Name: (2S)-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]-N-ethyl-N-(phenylmethyl)propanamide IUPAC Name: (2S)-N-benzyl-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-ethylpropanamide Traditional Name: (2S)-N-benzyl-2-[(4-cyclopropyl-5-keto-1H-1,2,4-triazol-3-yl)thio]-N-ethyl-propionamide Formula: C17H22N4O2S MolecularWeight: 346.44718

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C(=O)C(C)SC2=NNC(=O)N2C3CC3

Isomeric SMILES

CCN(CC1=CC=CC=C1)C(=O)[C@H](C)SC2=NNC(=O)N2C3CC3

InChI

InChI=1S/C17H22N4O2S/c1-3-20(11-13-7-5-4-6-8-13)15(22)12(2)24-17-19-18-16(23)21(17)14-9-10-14/h4-8,12,14H,3,9-11H2,1-2H3,(H,18,23)/t12-/m0/s1