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

Systemtic Name: 2-[(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[(4-ethyl-5-isopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile CAS Name: 2-[[(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)thio]methyl]benzonitrile IUPAC Name: 2-[(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile Traditional Name: 2-[[(4-ethyl-5-isopropyl-1,2,4-triazol-3-yl)thio]methyl]benzonitrile Formula: C15H18N4S MolecularWeight: 286.39522

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=CC=C2C#N)C(C)C

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=CC=C2C#N)C(C)C

InChI

InChI=1S/C15H18N4S/c1-4-19-14(11(2)3)17-18-15(19)20-10-13-8-6-5-7-12(13)9-16/h5-8,11H,4,10H2,1-3H3