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

Systemtic Name: 3-chloranyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-chloro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile CAS Name: 3-chloro-4-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]benzonitrile IUPAC Name: 3-chloro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile Traditional Name: 3-chloro-4-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]benzonitrile Formula: C11H9ClN4S MolecularWeight: 264.73396

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCC2=C(C=C(C=C2)C#N)Cl

Isomeric SMILES

CN1C=NN=C1SCC2=C(C=C(C=C2)C#N)Cl

InChI

InChI=1S/C11H9ClN4S/c1-16-7-14-15-11(16)17-6-9-3-2-8(5-13)4-10(9)12/h2-4,7H,6H2,1H3