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

Systemtic Name: N-[[4-cyclohexyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-3-methoxy-aniline Openeye Name: N-[[4-cyclohexyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-3-methoxy-aniline CAS Name: N-[[4-cyclohexyl-5-(2-phenoxyethylthio)-1,2,4-triazol-3-yl]methyl]-3-methoxyaniline IUPAC Name: N-[[4-cyclohexyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-3-methoxyaniline Traditional Name: [4-cyclohexyl-5-(2-phenoxyethylthio)-1,2,4-triazol-3-yl]methyl-(3-methoxyphenyl)amine Formula: C24H30N4O2S MolecularWeight: 438.5856

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NCC2=NN=C(N2C3CCCCC3)SCCOC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)NCC2=NN=C(N2C3CCCCC3)SCCOC4=CC=CC=C4

InChI

InChI=1S/C24H30N4O2S/c1-29-22-14-8-9-19(17-22)25-18-23-26-27-24(28(23)20-10-4-2-5-11-20)31-16-15-30-21-12-6-3-7-13-21/h3,6-9,12-14,17,20,25H,2,4-5,10-11,15-16,18H2,1H3