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

Systemtic Name: 2-[(4-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[(5-isopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile CAS Name: 2-[[(4-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)thio]methyl]benzonitrile IUPAC Name: 2-[(4-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile Traditional Name: 2-[[(5-isopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]benzonitrile Formula: C19H18N4S MolecularWeight: 334.43802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1C2=CC=CC=C2)SCC3=CC=CC=C3C#N

Isomeric SMILES

CC(C)C1=NN=C(N1C2=CC=CC=C2)SCC3=CC=CC=C3C#N

InChI

InChI=1S/C19H18N4S/c1-14(2)18-21-22-19(23(18)17-10-4-3-5-11-17)24-13-16-9-7-6-8-15(16)12-20/h3-11,14H,13H2,1-2H3