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

Systemtic Name: [4-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-phenyl]-phenyl-methanone Openeye Name: [4-[[4-methyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-phenyl]-phenyl-methanone CAS Name: [4-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]-3-nitrophenyl]-phenylmethanone IUPAC Name: [4-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitrophenyl]-phenylmethanone Traditional Name: [4-[[4-methyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]-3-nitro-phenyl]-phenyl-methanone Formula: C21H16N4O3S2 MolecularWeight: 436.50674

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-])CC4=CC=CS4

Isomeric SMILES

CN1C(=NN=C1SC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-])CC4=CC=CS4

InChI

InChI=1S/C21H16N4O3S2/c1-24-19(13-16-8-5-11-29-16)22-23-21(24)30-18-10-9-15(12-17(18)25(27)28)20(26)14-6-3-2-4-7-14/h2-12H,13H2,1H3