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

Systemtic Name: (2R)-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-nitrophenyl)propanamide Openeye Name: (2R)-2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-nitrophenyl)propanamide CAS Name: (2R)-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-N-(2-nitrophenyl)propanamide IUPAC Name: (2R)-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-nitrophenyl)propanamide Traditional Name: (2R)-2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(2-nitrophenyl)propionamide Formula: C19H18N6O3S MolecularWeight: 410.44962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])SC2=NN=C(N2C3CC3)C4=CC=NC=C4

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1[N+](=O)[O-])SC2=NN=C(N2C3CC3)C4=CC=NC=C4

InChI

InChI=1S/C19H18N6O3S/c1-12(18(26)21-15-4-2-3-5-16(15)25(27)28)29-19-23-22-17(24(19)14-6-7-14)13-8-10-20-11-9-13/h2-5,8-12,14H,6-7H2,1H3,(H,21,26)/t12-/m1/s1