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

Systemtic Name: 3-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[4-(4-chlorophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 3-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[4-(4-chlorophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C21H14ClN5S MolecularWeight: 403.88736

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=NC=C4)C#N

Isomeric SMILES

C1=CC(=CC(=C1)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=NC=C4)C#N

InChI

InChI=1S/C21H14ClN5S/c22-18-4-6-19(7-5-18)27-20(17-8-10-24-11-9-17)25-26-21(27)28-14-16-3-1-2-15(12-16)13-23/h1-12H,14H2