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

Systemtic Name: 2-[4-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]benzonitrile CAS Name: 2-[4-[[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]benzonitrile Traditional Name: 2-[4-[[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]methyl]phenyl]benzonitrile Formula: C26H22N4S MolecularWeight: 422.54468

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2CC3=CC=CC=C3)SCC4=CC=C(C=C4)C5=CC=CC=C5C#N

Isomeric SMILES

C1CC1C2=NN=C(N2CC3=CC=CC=C3)SCC4=CC=C(C=C4)C5=CC=CC=C5C#N

InChI

InChI=1S/C26H22N4S/c27-16-23-8-4-5-9-24(23)21-12-10-20(11-13-21)18-31-26-29-28-25(22-14-15-22)30(26)17-19-6-2-1-3-7-19/h1-13,22H,14-15,17-18H2