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

Systemtic Name: 4-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile CAS Name: 4-[[(5-propyl-1H-1,2,4-triazol-3-yl)thio]methyl]benzonitrile IUPAC Name: 4-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile Traditional Name: 4-[[(5-propyl-1H-1,2,4-triazol-3-yl)thio]methyl]benzonitrile Formula: C13H14N4S MolecularWeight: 258.34206

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SCC2=CC=C(C=C2)C#N

Isomeric SMILES

CCCC1=NC(=NN1)SCC2=CC=C(C=C2)C#N

InChI

InChI=1S/C13H14N4S/c1-2-3-12-15-13(17-16-12)18-9-11-6-4-10(8-14)5-7-11/h4-7H,2-3,9H2,1H3,(H,15,16,17)