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

Systemtic Name: N-(4-nitrophenyl)-2-[(5-pyridin-2-yl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-nitrophenyl)-2-[[5-(2-pyridyl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-nitrophenyl)-2-[[5-(2-pyridinyl)-4-(1-pyrrolyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-nitrophenyl)-2-[(5-pyridin-2-yl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-nitrophenyl)-2-[[5-(2-pyridyl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]thio]acetamide Formula: C19H15N7O3S MolecularWeight: 421.4325

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C2=NN=C(N2N3C=CC=C3)SCC(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=NC(=C1)C2=NN=C(N2N3C=CC=C3)SCC(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H15N7O3S/c27-17(21-14-6-8-15(9-7-14)26(28)29)13-30-19-23-22-18(16-5-1-2-10-20-16)25(19)24-11-3-4-12-24/h1-12H,13H2,(H,21,27)