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

Systemtic Name: 3-(3-nitrophenyl)-1-[3-pyridin-3-yl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]prop-2-en-1-one Openeye Name: 3-(3-nitrophenyl)-1-[3-(3-pyridyl)-5-(2-thienylmethylamino)-1,2,4-triazol-1-yl]prop-2-en-1-one CAS Name: 3-(3-nitrophenyl)-1-[3-(3-pyridinyl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]-2-propen-1-one IUPAC Name: 3-(3-nitrophenyl)-1-[3-pyridin-3-yl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]prop-2-en-1-one Traditional Name: 3-(3-nitrophenyl)-1-[3-(3-pyridyl)-5-(2-thenylamino)-1,2,4-triazol-1-yl]prop-2-en-1-one Formula: C21H16N6O3S MolecularWeight: 432.45514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16N6O3S/c28-19(9-8-15-4-1-6-17(12-15)27(29)30)26-21(23-14-18-7-3-11-31-18)24-20(25-26)16-5-2-10-22-13-16/h1-13H,14H2,(H,23,24,25)