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

Systemtic Name: (2R)-N-(3-cyanothiophen-2-yl)-2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2R)-N-(3-cyano-2-thienyl)-2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: (2R)-N-(3-cyano-2-thiophenyl)-2-[[4-cyclopropyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: (2R)-N-(3-cyanothiophen-2-yl)-2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2R)-N-(3-cyano-2-thienyl)-2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C18H16N6OS2 MolecularWeight: 396.48924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CS1)C#N)SC2=NN=C(N2C3CC3)C4=CN=CC=C4

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=CS1)C#N)SC2=NN=C(N2C3CC3)C4=CN=CC=C4

InChI

InChI=1S/C18H16N6OS2/c1-11(16(25)21-17-12(9-19)6-8-26-17)27-18-23-22-15(24(18)14-4-5-14)13-3-2-7-20-10-13/h2-3,6-8,10-11,14H,4-5H2,1H3,(H,21,25)/t11-/m1/s1