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

Systemtic Name: 4-[[4-azanyl-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 4-[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C16H12ClN5S MolecularWeight: 341.81798

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NN=C(N2N)SCC3=CC=C(C=C3)C#N)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C2=NN=C(N2N)SCC3=CC=C(C=C3)C#N)Cl

InChI

InChI=1S/C16H12ClN5S/c17-14-4-2-1-3-13(14)15-20-21-16(22(15)19)23-10-12-7-5-11(9-18)6-8-12/h1-8H,10,19H2