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

Systemtic Name: 4-[[5-(2-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[5-(2-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[5-(2-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 4-[[5-(2-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[5-(2-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C18H15ClN4S MolecularWeight: 354.8565

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)C#N)C3=CC=CC=C3Cl

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)C#N)C3=CC=CC=C3Cl

InChI

InChI=1S/C18H15ClN4S/c1-2-23-17(15-5-3-4-6-16(15)19)21-22-18(23)24-12-14-9-7-13(11-20)8-10-14/h3-10H,2,12H2,1H3