3-[[4-(3,4-dimethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile

Systemtic Name: 3-[[4-(3,4-dimethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: 3-[[4-(3,4-dimethylphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: 3-[[4-(3,4-dimethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: 3-[[4-(3,4-dimethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Traditional Name: 3-[[4-(3,4-dimethylphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propionitrile Formula: C18H17N5S MolecularWeight: 335.42608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN=C2SCCC#N)C3=CC=NC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=C2SCCC#N)C3=CC=NC=C3)C

InChI

InChI=1S/C18H17N5S/c1-13-4-5-16(12-14(13)2)23-17(15-6-9-20-10-7-15)21-22-18(23)24-11-3-8-19/h4-7,9-10,12H,3,11H2,1-2H3