1-(3-nitrophenyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(3-nitrophenyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3-nitrophenyl)ethanone CAS Name: 1-(3-nitrophenyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(3-nitrophenyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-(3-nitrophenyl)ethanone Formula: C19H16N4O3S MolecularWeight: 380.42034

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C19H16N4O3S/c1-2-11-22-18(14-7-4-3-5-8-14)20-21-19(22)27-13-17(24)15-9-6-10-16(12-15)23(25)26/h2-10,12H,1,11,13H2