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

Systemtic Name: 4-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[(4-cyclopropyl-5-isopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile CAS Name: 4-[[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)thio]methyl]benzonitrile IUPAC Name: 4-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile Traditional Name: 4-[[(4-cyclopropyl-5-isopropyl-1,2,4-triazol-3-yl)thio]methyl]benzonitrile Formula: C16H18N4S MolecularWeight: 298.40592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1C2CC2)SCC3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)C1=NN=C(N1C2CC2)SCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C16H18N4S/c1-11(2)15-18-19-16(20(15)14-7-8-14)21-10-13-5-3-12(9-17)4-6-13/h3-6,11,14H,7-8,10H2,1-2H3