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

Systemtic Name: 4-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[(4-isopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile CAS Name: 4-[[(4-propan-2-yl-1,2,4-triazol-3-yl)thio]methyl]benzonitrile IUPAC Name: 4-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile Traditional Name: 4-[[(4-isopropyl-1,2,4-triazol-3-yl)thio]methyl]benzonitrile Formula: C13H14N4S MolecularWeight: 258.34206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NN=C1SCC2=CC=C(C=C2)C#N

Isomeric SMILES

CC(C)N1C=NN=C1SCC2=CC=C(C=C2)C#N

InChI

InChI=1S/C13H14N4S/c1-10(2)17-9-15-16-13(17)18-8-12-5-3-11(7-14)4-6-12/h3-6,9-10H,8H2,1-2H3