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

Systemtic Name: (4-chloranyl-3-nitro-phenyl)-[3-phenyl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]methanone Openeye Name: (4-chloro-3-nitro-phenyl)-[3-phenyl-5-(2-thienylmethylamino)-1,2,4-triazol-1-yl]methanone CAS Name: (4-chloro-3-nitrophenyl)-[3-phenyl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]methanone IUPAC Name: (4-chloro-3-nitrophenyl)-[3-phenyl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]methanone Traditional Name: (4-chloro-3-nitro-phenyl)-[3-phenyl-5-(2-thenylamino)-1,2,4-triazol-1-yl]methanone Formula: C20H14ClN5O3S MolecularWeight: 439.87486

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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(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H14ClN5O3S/c21-16-9-8-14(11-17(16)26(28)29)19(27)25-20(22-12-15-7-4-10-30-15)23-18(24-25)13-5-2-1-3-6-13/h1-11H,12H2,(H,22,23,24)