1-[4-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]ethanone

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)SC2=NN(C(=N2)C3CC3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)SC2=NN(C(=N2)C3CC3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H16N4O3S/c1-12(24)14-9-10-17(16(11-14)23(25)26)27-19-20-18(13-7-8-13)22(21-19)15-5-3-2-4-6-15/h2-6,9-11,13H,7-8H2,1H3