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

Systemtic Name: 2-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-benzonitrile CAS Name: 2-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-5-nitrobenzonitrile IUPAC Name: 2-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-5-nitrobenzonitrile Traditional Name: 2-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-5-nitro-benzonitrile Formula: C23H17N5O2S MolecularWeight: 427.47838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H17N5O2S/c1-15-8-9-19(12-16(15)2)27-22(17-6-4-3-5-7-17)25-26-23(27)31-21-11-10-20(28(29)30)13-18(21)14-24/h3-13H,1-2H3