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

Systemtic Name: 5-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-2-nitro-pyridine Openeye Name: 5-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-2-nitro-pyridine CAS Name: 5-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-2-nitropyridine IUPAC Name: 5-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-2-nitropyridine Traditional Name: 5-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-2-nitro-pyridine Formula: C21H17N5O2S MolecularWeight: 403.45698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN=C2SC3=CN=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=C2SC3=CN=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4)C

InChI

InChI=1S/C21H17N5O2S/c1-14-8-9-17(12-15(14)2)25-20(16-6-4-3-5-7-16)23-24-21(25)29-18-10-11-19(22-13-18)26(27)28/h3-13H,1-2H3