3-[5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-4-(2-methylphenyl)-1,2,4-triazol-3-yl]pyridine

Systemtic Name: 3-[5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-4-(2-methylphenyl)-1,2,4-triazol-3-yl]pyridine Openeye Name: 3-[5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-4-(o-tolyl)-1,2,4-triazol-3-yl]pyridine CAS Name: 3-[5-[(2-methoxy-5-nitrophenyl)methylthio]-4-(2-methylphenyl)-1,2,4-triazol-3-yl]pyridine IUPAC Name: 3-[5-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-4-(2-methylphenyl)-1,2,4-triazol-3-yl]pyridine Traditional Name: 3-[5-[(2-methoxy-5-nitro-benzyl)thio]-4-(o-tolyl)-1,2,4-triazol-3-yl]pyridine Formula: C22H19N5O3S MolecularWeight: 433.48296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SCC3=C(C=CC(=C3)[N+](=O)[O-])OC)C4=CN=CC=C4

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCC3=C(C=CC(=C3)[N+](=O)[O-])OC)C4=CN=CC=C4

InChI

InChI=1S/C22H19N5O3S/c1-15-6-3-4-8-19(15)26-21(16-7-5-11-23-13-16)24-25-22(26)31-14-17-12-18(27(28)29)9-10-20(17)30-2/h3-13H,14H2,1-2H3