2-[[5-(2,4-dichlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile

Systemtic Name: 2-[[5-(2,4-dichlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[4-allyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[5-(2,4-dichlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[5-(2,4-dichlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[4-allyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C13H10Cl2N4S MolecularWeight: 325.2163

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC#N)C2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

C=CCN1C(=NN=C1SCC#N)C2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C13H10Cl2N4S/c1-2-6-19-12(17-18-13(19)20-7-5-16)10-4-3-9(14)8-11(10)15/h2-4,8H,1,6-7H2