3-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-4-phenyl-5-thiophen-2-yl-1,2,4-triazole

Systemtic Name: 3-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-4-phenyl-5-thiophen-2-yl-1,2,4-triazole Openeye Name: 3-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-4-phenyl-5-(2-thienyl)-1,2,4-triazole CAS Name: 3-[(4-methylsulfonyl-2-nitrophenyl)thio]-4-phenyl-5-thiophen-2-yl-1,2,4-triazole IUPAC Name: 3-(4-methylsulfonyl-2-nitrophenyl)sulfanyl-4-phenyl-5-thiophen-2-yl-1,2,4-triazole Traditional Name: 3-[(4-mesyl-2-nitro-phenyl)thio]-4-phenyl-5-(2-thienyl)-1,2,4-triazole Formula: C19H14N4O4S3 MolecularWeight: 458.53386

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)SC2=NN=C(N2C3=CC=CC=C3)C4=CC=CS4)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)SC2=NN=C(N2C3=CC=CC=C3)C4=CC=CS4)[N+](=O)[O-]

InChI

InChI=1S/C19H14N4O4S3/c1-30(26,27)14-9-10-16(15(12-14)23(24)25)29-19-21-20-18(17-8-5-11-28-17)22(19)13-6-3-2-4-7-13/h2-12H,1H3