[4-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]-phenyl-methanone

Systemtic Name: [4-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]-phenyl-methanone Openeye Name: [4-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]-phenyl-methanone CAS Name: [4-[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]-3-nitrophenyl]-phenylmethanone IUPAC Name: [4-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]-phenylmethanone Traditional Name: [4-[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]-3-nitro-phenyl]-phenyl-methanone Formula: C17H14N4O3S MolecularWeight: 354.38306

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NN1)SC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=NC(=NN1)SC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H14N4O3S/c1-2-15-18-17(20-19-15)25-14-9-8-12(10-13(14)21(23)24)16(22)11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H,18,19,20)