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

Systemtic Name: 3-[[4-(3,4-dichlorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: 3-[[4-(3,4-dichlorophenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: 3-[[4-(3,4-dichlorophenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: 3-[[4-(3,4-dichlorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Traditional Name: 3-[[4-(3,4-dichlorophenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]propionitrile Formula: C16H11Cl2N5S MolecularWeight: 376.26304

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2=NN=C(N2C3=CC(=C(C=C3)Cl)Cl)SCCC#N

Isomeric SMILES

C1=CC(=CN=C1)C2=NN=C(N2C3=CC(=C(C=C3)Cl)Cl)SCCC#N

InChI

InChI=1S/C16H11Cl2N5S/c17-13-5-4-12(9-14(13)18)23-15(11-3-1-7-20-10-11)21-22-16(23)24-8-2-6-19/h1,3-5,7,9-10H,2,8H2