(4-chloranyl-3-nitro-phenyl)-[3-pyridin-3-yl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]methanone

Systemtic Name: (4-chloranyl-3-nitro-phenyl)-[3-pyridin-3-yl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]methanone Openeye Name: (4-chloro-3-nitro-phenyl)-[3-(3-pyridyl)-5-(2-thienylmethylamino)-1,2,4-triazol-1-yl]methanone CAS Name: (4-chloro-3-nitrophenyl)-[3-(3-pyridinyl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]methanone IUPAC Name: (4-chloro-3-nitrophenyl)-[3-pyridin-3-yl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]methanone Traditional Name: (4-chloro-3-nitro-phenyl)-[3-(3-pyridyl)-5-(2-thenylamino)-1,2,4-triazol-1-yl]methanone Formula: C19H13ClN6O3S MolecularWeight: 440.86292

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2=NN(C(=N2)NCC3=CC=CS3)C(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CN=C1)C2=NN(C(=N2)NCC3=CC=CS3)C(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H13ClN6O3S/c20-15-6-5-12(9-16(15)26(28)29)18(27)25-19(22-11-14-4-2-8-30-14)23-17(24-25)13-3-1-7-21-10-13/h1-10H,11H2,(H,22,23,24)