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

Systemtic Name: [4-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]-phenyl-methanone Openeye Name: [4-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-phenyl]-phenyl-methanone CAS Name: [4-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-3-nitrophenyl]-phenylmethanone IUPAC Name: [4-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]-phenylmethanone Traditional Name: [4-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-3-nitro-phenyl]-phenyl-methanone Formula: C22H16N4O3S2 MolecularWeight: 448.51744

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SC3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)[N+](=O)[O-])C5=CC=CS5

Isomeric SMILES

C1CC1N2C(=NN=C2SC3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)[N+](=O)[O-])C5=CC=CS5

InChI

InChI=1S/C22H16N4O3S2/c27-20(14-5-2-1-3-6-14)15-8-11-18(17(13-15)26(28)29)31-22-24-23-21(19-7-4-12-30-19)25(22)16-9-10-16/h1-8,11-13,16H,9-10H2