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

Systemtic Name: 2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-nitrophenyl)ethanamide Openeye Name: 2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)acetamide CAS Name: 2-[[4-cyclopropyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-(4-nitrophenyl)acetamide IUPAC Name: 2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-nitrophenyl)acetamide Traditional Name: 2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(4-nitrophenyl)acetamide Formula: C18H16N6O3S MolecularWeight: 396.42304

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])C4=CN=CC=C4

Isomeric SMILES

C1CC1N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])C4=CN=CC=C4

InChI

InChI=1S/C18H16N6O3S/c25-16(20-13-3-5-15(6-4-13)24(26)27)11-28-18-22-21-17(23(18)14-7-8-14)12-2-1-9-19-10-12/h1-6,9-10,14H,7-8,11H2,(H,20,25)