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

Systemtic Name: 3-[[5-(2,4-dichlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[4-allyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[5-(2,4-dichlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 3-[[5-(2,4-dichlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[4-allyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C19H14Cl2N4S MolecularWeight: 401.31226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC=CC(=C2)C#N)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC=CC(=C2)C#N)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C19H14Cl2N4S/c1-2-8-25-18(16-7-6-15(20)10-17(16)21)23-24-19(25)26-12-14-5-3-4-13(9-14)11-22/h2-7,9-10H,1,8,12H2