(2S)-N-(3-cyanothiophen-2-yl)-2-[(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: (2S)-N-(3-cyanothiophen-2-yl)-2-[(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2S)-N-(3-cyano-2-thienyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: (2S)-N-(3-cyano-2-thiophenyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2S)-N-(3-cyanothiophen-2-yl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2S)-N-(3-cyano-2-thienyl)-2-[(5-keto-4-propyl-1H-1,2,4-triazol-3-yl)thio]propionamide Formula: C13H15N5O2S2 MolecularWeight: 337.4205

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SC(C)C(=O)NC2=C(C=CS2)C#N

Isomeric SMILES

CCCN1C(=O)NN=C1S[C@@H](C)C(=O)NC2=C(C=CS2)C#N

InChI

InChI=1S/C13H15N5O2S2/c1-3-5-18-12(20)16-17-13(18)22-8(2)10(19)15-11-9(7-14)4-6-21-11/h4,6,8H,3,5H2,1-2H3,(H,15,19)(H,16,20)/t8-/m0/s1