3-[[4-(3-chloranyl-4-methyl-phenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfonyl]propanenitrile

Systemtic Name: 3-[[4-(3-chloranyl-4-methyl-phenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfonyl]propanenitrile Openeye Name: 3-[[4-(3-chloro-4-methyl-phenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfonyl]propanenitrile CAS Name: 3-[[4-(3-chloro-4-methylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]sulfonyl]propanenitrile IUPAC Name: 3-[[4-(3-chloro-4-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfonyl]propanenitrile Traditional Name: 3-[[4-(3-chloro-4-methyl-phenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfonyl]propionitrile Formula: C17H14ClN5O2S MolecularWeight: 387.84336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN=C2S(=O)(=O)CCC#N)C3=CN=CC=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=C2S(=O)(=O)CCC#N)C3=CN=CC=C3)Cl

InChI

InChI=1S/C17H14ClN5O2S/c1-12-5-6-14(10-15(12)18)23-16(13-4-2-8-20-11-13)21-22-17(23)26(24,25)9-3-7-19/h2,4-6,8,10-11H,3,9H2,1H3