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

Systemtic Name: N-[[4-cyclohexyl-5-(3-phenoxypropylsulfanyl)-1,2,4-triazol-3-yl]methyl]-3-methoxy-aniline Openeye Name: N-[[4-cyclohexyl-5-(3-phenoxypropylsulfanyl)-1,2,4-triazol-3-yl]methyl]-3-methoxy-aniline CAS Name: N-[[4-cyclohexyl-5-(3-phenoxypropylthio)-1,2,4-triazol-3-yl]methyl]-3-methoxyaniline IUPAC Name: N-[[4-cyclohexyl-5-(3-phenoxypropylsulfanyl)-1,2,4-triazol-3-yl]methyl]-3-methoxyaniline Traditional Name: [4-cyclohexyl-5-(3-phenoxypropylthio)-1,2,4-triazol-3-yl]methyl-(3-methoxyphenyl)amine Formula: C25H32N4O2S MolecularWeight: 452.61218

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NCC2=NN=C(N2C3CCCCC3)SCCCOC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)NCC2=NN=C(N2C3CCCCC3)SCCCOC4=CC=CC=C4

InChI

InChI=1S/C25H32N4O2S/c1-30-23-15-8-10-20(18-23)26-19-24-27-28-25(29(24)21-11-4-2-5-12-21)32-17-9-16-31-22-13-6-3-7-14-22/h3,6-8,10,13-15,18,21,26H,2,4-5,9,11-12,16-17,19H2,1H3