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

Systemtic Name: [4-[[4-ethyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-phenyl]-phenyl-methanone Openeye Name: [4-[[4-ethyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-phenyl]-phenyl-methanone CAS Name: [4-[[4-ethyl-5-(2-methyl-3-furanyl)-1,2,4-triazol-3-yl]thio]-3-nitrophenyl]-phenylmethanone IUPAC Name: [4-[[4-ethyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitrophenyl]-phenylmethanone Traditional Name: [4-[[4-ethyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]thio]-3-nitro-phenyl]-phenyl-methanone Formula: C22H18N4O4S MolecularWeight: 434.46772

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-])C4=C(OC=C4)C

Isomeric SMILES

CCN1C(=NN=C1SC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-])C4=C(OC=C4)C

InChI

InChI=1S/C22H18N4O4S/c1-3-25-21(17-11-12-30-14(17)2)23-24-22(25)31-19-10-9-16(13-18(19)26(28)29)20(27)15-7-5-4-6-8-15/h4-13H,3H2,1-2H3