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

Systemtic Name: 2-[4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]benzonitrile CAS Name: 2-[4-[[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]benzonitrile Traditional Name: 2-[4-[[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]methyl]phenyl]benzonitrile Formula: C22H20N4S MolecularWeight: 372.486

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3CC3)SCC4=CC=C(C=C4)C5=CC=CC=C5C#N

Isomeric SMILES

C1CC1C2=NN=C(N2C3CC3)SCC4=CC=C(C=C4)C5=CC=CC=C5C#N

InChI

InChI=1S/C22H20N4S/c23-13-18-3-1-2-4-20(18)16-7-5-15(6-8-16)14-27-22-25-24-21(17-9-10-17)26(22)19-11-12-19/h1-8,17,19H,9-12,14H2