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

Systemtic Name: 3-(3-nitrophenyl)-1-[3-phenyl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]prop-2-en-1-one Openeye Name: 3-(3-nitrophenyl)-1-[3-phenyl-5-(2-thienylmethylamino)-1,2,4-triazol-1-yl]prop-2-en-1-one CAS Name: 3-(3-nitrophenyl)-1-[3-phenyl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]-2-propen-1-one IUPAC Name: 3-(3-nitrophenyl)-1-[3-phenyl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]prop-2-en-1-one Traditional Name: 3-(3-nitrophenyl)-1-[3-phenyl-5-(2-thenylamino)-1,2,4-triazol-1-yl]prop-2-en-1-one Formula: C22H17N5O3S MolecularWeight: 431.46708

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=N2)NCC3=CC=CS3)C(=O)C=CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=N2)NCC3=CC=CS3)C(=O)C=CC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H17N5O3S/c28-20(12-11-16-6-4-9-18(14-16)27(29)30)26-22(23-15-19-10-5-13-31-19)24-21(25-26)17-7-2-1-3-8-17/h1-14H,15H2,(H,23,24,25)