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

Systemtic Name: (3-nitrophenyl)-[3-pyridin-3-yl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]methanone Openeye Name: (3-nitrophenyl)-[3-(3-pyridyl)-5-(2-thienylmethylamino)-1,2,4-triazol-1-yl]methanone CAS Name: (3-nitrophenyl)-[3-(3-pyridinyl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]methanone IUPAC Name: (3-nitrophenyl)-[3-pyridin-3-yl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]methanone Traditional Name: (3-nitrophenyl)-[3-(3-pyridyl)-5-(2-thenylamino)-1,2,4-triazol-1-yl]methanone Formula: C19H14N6O3S MolecularWeight: 406.41786

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)N2C(=NC(=N2)C3=CN=CC=C3)NCC4=CC=CS4

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)N2C(=NC(=N2)C3=CN=CC=C3)NCC4=CC=CS4

InChI

InChI=1S/C19H14N6O3S/c26-18(13-4-1-6-15(10-13)25(27)28)24-19(21-12-16-7-3-9-29-16)22-17(23-24)14-5-2-8-20-11-14/h1-11H,12H2,(H,21,22,23)