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

Systemtic Name: 4-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[4-allyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 4-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[4-allyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C19H15ClN4S MolecularWeight: 366.8672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15ClN4S/c1-2-11-24-18(16-7-9-17(20)10-8-16)22-23-19(24)25-13-15-5-3-14(12-21)4-6-15/h2-10H,1,11,13H2