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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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