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

Systemtic Name: (3-nitrophenyl)-[3-phenyl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]methanone Openeye Name: (3-nitrophenyl)-[3-phenyl-5-(2-thienylmethylamino)-1,2,4-triazol-1-yl]methanone CAS Name: (3-nitrophenyl)-[3-phenyl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]methanone IUPAC Name: (3-nitrophenyl)-[3-phenyl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]methanone Traditional Name: (3-nitrophenyl)-[3-phenyl-5-(2-thenylamino)-1,2,4-triazol-1-yl]methanone Formula: C20H15N5O3S MolecularWeight: 405.4298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15N5O3S/c26-19(15-8-4-9-16(12-15)25(27)28)24-20(21-13-17-10-5-11-29-17)22-18(23-24)14-6-2-1-3-7-14/h1-12H,13H2,(H,21,22,23)