4-[5-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-4-phenyl-1,2,4-triazol-3-yl]pyridine

Systemtic Name: 4-[5-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-4-phenyl-1,2,4-triazol-3-yl]pyridine Openeye Name: 4-[5-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-4-phenyl-1,2,4-triazol-3-yl]pyridine CAS Name: 4-[5-[(4-methylsulfonyl-2-nitrophenyl)thio]-4-phenyl-1,2,4-triazol-3-yl]pyridine IUPAC Name: 4-[5-(4-methylsulfonyl-2-nitrophenyl)sulfanyl-4-phenyl-1,2,4-triazol-3-yl]pyridine Traditional Name: 4-[5-[(4-mesyl-2-nitro-phenyl)thio]-4-phenyl-1,2,4-triazol-3-yl]pyridine Formula: C20H15N5O4S2 MolecularWeight: 453.4942

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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=NC=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H15N5O4S2/c1-31(28,29)16-7-8-18(17(13-16)25(26)27)30-20-23-22-19(14-9-11-21-12-10-14)24(20)15-5-3-2-4-6-15/h2-13H,1H3