N-[[4-cyclohexyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide

Systemtic Name: N-[[4-cyclohexyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Openeye Name: N-[(5-benzylsulfanyl-4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-methoxy-benzamide CAS Name: N-[[4-cyclohexyl-5-(phenylmethylthio)-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide IUPAC Name: N-[(5-benzylsulfanyl-4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide Traditional Name: N-[[5-(benzylthio)-4-cyclohexyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Formula: C24H28N4O2S MolecularWeight: 436.56972

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C3CCCCC3)SCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C3CCCCC3)SCC4=CC=CC=C4

InChI

InChI=1S/C24H28N4O2S/c1-30-21-14-12-19(13-15-21)23(29)25-16-22-26-27-24(28(22)20-10-6-3-7-11-20)31-17-18-8-4-2-5-9-18/h2,4-5,8-9,12-15,20H,3,6-7,10-11,16-17H2,1H3,(H,25,29)