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

Systemtic Name: N-(4-nitrophenyl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(4-nitrophenyl)-2-[[5-(3-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(4-nitrophenyl)-2-[[5-(3-pyridinyl)-1H-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(4-nitrophenyl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(4-nitrophenyl)-2-[[5-(3-pyridyl)-1H-1,2,4-triazol-3-yl]thio]propionamide Formula: C16H14N6O3S MolecularWeight: 370.38576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=NNC(=N2)C3=CN=CC=C3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=NNC(=N2)C3=CN=CC=C3

InChI

InChI=1S/C16H14N6O3S/c1-10(15(23)18-12-4-6-13(7-5-12)22(24)25)26-16-19-14(20-21-16)11-3-2-8-17-9-11/h2-10H,1H3,(H,18,23)(H,19,20,21)