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

Systemtic Name: 2-[[5-(3-chloranyl-4-methyl-phenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[5-(3-chloro-4-methyl-phenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[5-(3-chloro-4-methylphenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 2-[[5-(3-chloro-4-methylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[5-(3-chloro-4-methyl-phenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C19H17ClN4S MolecularWeight: 368.88308

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=CC=C2C#N)C3=CC(=C(C=C3)C)Cl

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=CC=C2C#N)C3=CC(=C(C=C3)C)Cl

InChI

InChI=1S/C19H17ClN4S/c1-3-24-18(14-9-8-13(2)17(20)10-14)22-23-19(24)25-12-16-7-5-4-6-15(16)11-21/h4-10H,3,12H2,1-2H3