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

Systemtic Name: N-[[4-cyclohexyl-5-(1,3-thiazol-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-3-methoxy-aniline Openeye Name: N-[[4-cyclohexyl-5-(thiazol-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-3-methoxy-aniline CAS Name: N-[[4-cyclohexyl-5-(4-thiazolylmethylthio)-1,2,4-triazol-3-yl]methyl]-3-methoxyaniline IUPAC Name: N-[[4-cyclohexyl-5-(1,3-thiazol-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-3-methoxyaniline Traditional Name: [4-cyclohexyl-5-(thiazol-4-ylmethylthio)-1,2,4-triazol-3-yl]methyl-(3-methoxyphenyl)amine Formula: C20H25N5OS2 MolecularWeight: 415.5754

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NCC2=NN=C(N2C3CCCCC3)SCC4=CSC=N4

Isomeric SMILES

COC1=CC=CC(=C1)NCC2=NN=C(N2C3CCCCC3)SCC4=CSC=N4

InChI

InChI=1S/C20H25N5OS2/c1-26-18-9-5-6-15(10-18)21-11-19-23-24-20(28-13-16-12-27-14-22-16)25(19)17-7-3-2-4-8-17/h5-6,9-10,12,14,17,21H,2-4,7-8,11,13H2,1H3