(2R)-N-aminocarbonyl-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3-methyl-butanamide

Systemtic Name: (2R)-N-aminocarbonyl-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3-methyl-butanamide Openeye Name: (2R)-N-carbamoyl-2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-3-methyl-butanamide CAS Name: (2R)-N-carbamoyl-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-3-methylbutanamide IUPAC Name: (2R)-N-carbamoyl-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3-methylbutanamide Traditional Name: (2R)-N-carbamoyl-2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-3-methyl-butyramide Formula: C16H20N6O2S MolecularWeight: 360.434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)SC1=NN=C(N1C2CC2)C3=CC=NC=C3

Isomeric SMILES

CC(C)[C@H](C(=O)NC(=O)N)SC1=NN=C(N1C2CC2)C3=CC=NC=C3

InChI

InChI=1S/C16H20N6O2S/c1-9(2)12(14(23)19-15(17)24)25-16-21-20-13(22(16)11-3-4-11)10-5-7-18-8-6-10/h5-9,11-12H,3-4H2,1-2H3,(H3,17,19,23,24)/t12-/m1/s1