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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NN1)SCC2=CC=C(C=C2)C3=CC=CC=C3C#N

Isomeric SMILES

CC(C)C1=NC(=NN1)SCC2=CC=C(C=C2)C3=CC=CC=C3C#N

InChI

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