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

Systemtic Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile CAS Name: 2-[[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]methyl]benzonitrile IUPAC Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile Traditional Name: 2-[[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]methyl]benzonitrile Formula: C12H12N4S MolecularWeight: 244.31548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C)SCC2=CC=CC=C2C#N

Isomeric SMILES

CC1=NN=C(N1C)SCC2=CC=CC=C2C#N

InChI

InChI=1S/C12H12N4S/c1-9-14-15-12(16(9)2)17-8-11-6-4-3-5-10(11)7-13/h3-6H,8H2,1-2H3