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

Systemtic Name: N-[[5-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-cyclohexyl-1,2,4-triazol-3-yl]methyl]-3-methoxy-aniline Openeye Name: N-[[5-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-cyclohexyl-1,2,4-triazol-3-yl]methyl]-3-methoxy-aniline CAS Name: N-[[5-(1,3-benzodioxol-5-ylmethylthio)-4-cyclohexyl-1,2,4-triazol-3-yl]methyl]-3-methoxyaniline IUPAC Name: N-[[5-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-cyclohexyl-1,2,4-triazol-3-yl]methyl]-3-methoxyaniline Traditional Name: [4-cyclohexyl-5-(piperonylthio)-1,2,4-triazol-3-yl]methyl-(3-methoxyphenyl)amine Formula: C24H28N4O3S MolecularWeight: 452.56912

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NCC2=NN=C(N2C3CCCCC3)SCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=CC(=C1)NCC2=NN=C(N2C3CCCCC3)SCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H28N4O3S/c1-29-20-9-5-6-18(13-20)25-14-23-26-27-24(28(23)19-7-3-2-4-8-19)32-15-17-10-11-21-22(12-17)31-16-30-21/h5-6,9-13,19,25H,2-4,7-8,14-16H2,1H3