4-[[4-cyclohexyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]-sulfanyl-methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-cyclohexyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]-sulfanyl-methyl]benzenecarbonitrile Openeye Name: 4-[(5-benzyl-4-cyclohexyl-1,2,4-triazol-3-yl)-sulfanyl-methyl]benzonitrile CAS Name: 4-[[4-cyclohexyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]-mercaptomethyl]benzonitrile IUPAC Name: 4-[(5-benzyl-4-cyclohexyl-1,2,4-triazol-3-yl)-sulfanylmethyl]benzonitrile Traditional Name: 4-[(5-benzyl-4-cyclohexyl-1,2,4-triazol-3-yl)-mercapto-methyl]benzonitrile Formula: C23H24N4S MolecularWeight: 388.52846

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2C(C3=CC=C(C=C3)C#N)S)CC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2C(C3=CC=C(C=C3)C#N)S)CC4=CC=CC=C4

InChI

InChI=1S/C23H24N4S/c24-16-18-11-13-19(14-12-18)22(28)23-26-25-21(15-17-7-3-1-4-8-17)27(23)20-9-5-2-6-10-20/h1,3-4,7-8,11-14,20,22,28H,2,5-6,9-10,15H2