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

Systemtic Name: (2S)-N-(3-cyanothiophen-2-yl)-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2S)-N-(3-cyano-2-thienyl)-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: (2S)-N-(3-cyano-2-thiophenyl)-2-[[4-cyclopropyl-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: (2S)-N-(3-cyanothiophen-2-yl)-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2S)-N-(3-cyano-2-thienyl)-2-[(4-cyclopropyl-5-pyrrolidino-1,2,4-triazol-3-yl)thio]propionamide Formula: C17H20N6OS2 MolecularWeight: 388.5103

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CS1)C#N)SC2=NN=C(N2C3CC3)N4CCCC4

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=CS1)C#N)SC2=NN=C(N2C3CC3)N4CCCC4

InChI

InChI=1S/C17H20N6OS2/c1-11(14(24)19-15-12(10-18)6-9-25-15)26-17-21-20-16(22-7-2-3-8-22)23(17)13-4-5-13/h6,9,11,13H,2-5,7-8H2,1H3,(H,19,24)/t11-/m0/s1