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

Systemtic Name: 5-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentanenitrile Openeye Name: 5-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentanenitrile CAS Name: 5-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]pentanenitrile IUPAC Name: 5-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentanenitrile Traditional Name: 5-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]valeronitrile Formula: C21H22N4S MolecularWeight: 362.49118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN=C2SCCCCC#N)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=C2SCCCCC#N)C3=CC=CC=C3)C

InChI

InChI=1S/C21H22N4S/c1-16-11-12-19(15-17(16)2)25-20(18-9-5-3-6-10-18)23-24-21(25)26-14-8-4-7-13-22/h3,5-6,9-12,15H,4,7-8,14H2,1-2H3