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

Systemtic Name: 3-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile CAS Name: 3-[[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]methyl]benzonitrile IUPAC Name: 3-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile Traditional Name: 3-[[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]methyl]benzonitrile Formula: C15H16N4S MolecularWeight: 284.37934

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=CC(=C2)C#N)C3CC3

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=CC(=C2)C#N)C3CC3

InChI

InChI=1S/C15H16N4S/c1-2-19-14(13-6-7-13)17-18-15(19)20-10-12-5-3-4-11(8-12)9-16/h3-5,8,13H,2,6-7,10H2,1H3