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

Systemtic Name: 3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile CAS Name: 3-[[(5-methyl-1H-1,2,4-triazol-3-yl)thio]methyl]benzonitrile IUPAC Name: 3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile Traditional Name: 3-[[(5-methyl-1H-1,2,4-triazol-3-yl)thio]methyl]benzonitrile Formula: C11H10N4S MolecularWeight: 230.2889

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SCC2=CC=CC(=C2)C#N

Isomeric SMILES

CC1=NC(=NN1)SCC2=CC=CC(=C2)C#N

InChI

InChI=1S/C11H10N4S/c1-8-13-11(15-14-8)16-7-10-4-2-3-9(5-10)6-12/h2-5H,7H2,1H3,(H,13,14,15)