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

Systemtic Name: 2-[[4-(2,4-dimethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: 2-[[4-(2,4-dimethylphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: 2-[[4-(2,4-dimethylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: 2-[[4-(2,4-dimethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Traditional Name: 2-[[4-(2,4-dimethylphenyl)-5-(3-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=CC(=C(C=C1)N2C(=NN=C2SC(C)C#N)C3=CN=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=NN=C2SC(C)C#N)C3=CN=CC=C3)C

InChI

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