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

Systemtic Name: 2-[[4-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-pyridine Openeye Name: 2-[[4-(m-tolyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-pyridine CAS Name: 2-[[4-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-3-nitropyridine IUPAC Name: 2-[[4-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3-nitropyridine Traditional Name: 2-[[4-(m-tolyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-3-nitro-pyridine Formula: C20H15N5O2S MolecularWeight: 389.4304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN=C2SC3=C(C=CC=N3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=C2SC3=C(C=CC=N3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C20H15N5O2S/c1-14-7-5-10-16(13-14)24-18(15-8-3-2-4-9-15)22-23-20(24)28-19-17(25(26)27)11-6-12-21-19/h2-13H,1H3