(2S)-N-(3-cyanothiophen-2-yl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: (2S)-N-(3-cyanothiophen-2-yl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2S)-N-(3-cyano-2-thienyl)-2-[(4-isopropyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: (2S)-N-(3-cyano-2-thiophenyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2S)-N-(3-cyanothiophen-2-yl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2S)-N-(3-cyano-2-thienyl)-2-[(4-isopropyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C13H15N5OS2 MolecularWeight: 321.4211

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NN=C1SC(C)C(=O)NC2=C(C=CS2)C#N

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=CS1)C#N)SC2=NN=CN2C(C)C

InChI

InChI=1S/C13H15N5OS2/c1-8(2)18-7-15-17-13(18)21-9(3)11(19)16-12-10(6-14)4-5-20-12/h4-5,7-9H,1-3H3,(H,16,19)/t9-/m0/s1