N-(cyclohexylmethylsulfanyl)-N-[(2-methoxyphenyl)methyl]-4-[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]butanamide

Systemtic Name: N-(cyclohexylmethylsulfanyl)-N-[(2-methoxyphenyl)methyl]-4-[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]butanamide Openeye Name: N-(cyclohexylmethylsulfanyl)-N-[(2-methoxyphenyl)methyl]-4-[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]butanamide CAS Name: N-(cyclohexylmethylthio)-N-[(2-methoxyphenyl)methyl]-4-[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]butanamide IUPAC Name: N-(cyclohexylmethylsulfanyl)-N-[(2-methoxyphenyl)methyl]-4-[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]butanamide Traditional Name: N-(cyclohexylmethylthio)-4-[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]-N-o-anisyl-butyramide Formula: C28H36N4O3S MolecularWeight: 508.67544

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C=NN=C2CCCC(=O)N(CC3=CC=CC=C3OC)SCC4CCCCC4

Isomeric SMILES

COC1=CC=CC(=C1)N2C=NN=C2CCCC(=O)N(CC3=CC=CC=C3OC)SCC4CCCCC4

InChI

InChI=1S/C28H36N4O3S/c1-34-25-14-8-13-24(18-25)31-21-29-30-27(31)16-9-17-28(33)32(36-20-22-10-4-3-5-11-22)19-23-12-6-7-15-26(23)35-2/h6-8,12-15,18,21-22H,3-5,9-11,16-17,19-20H2,1-2H3