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

Systemtic Name: 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile CAS Name: 2-[[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]methyl]benzonitrile IUPAC Name: 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile Traditional Name: 2-[[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]methyl]benzonitrile Formula: C13H12N4S MolecularWeight: 256.32618

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=NN2)SCC3=CC=CC=C3C#N

Isomeric SMILES

C1CC1C2=NC(=NN2)SCC3=CC=CC=C3C#N

InChI

InChI=1S/C13H12N4S/c14-7-10-3-1-2-4-11(10)8-18-13-15-12(16-17-13)9-5-6-9/h1-4,9H,5-6,8H2,(H,15,16,17)