N-cyclohexyl-2-[[5-[(3,4-dimethoxyphenyl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: N-cyclohexyl-2-[[5-[(3,4-dimethoxyphenyl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-cyclohexyl-2-[[5-[(3,4-dimethoxyphenyl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-cyclohexyl-2-[[5-[(3,4-dimethoxyphenyl)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-cyclohexyl-2-[[5-[(3,4-dimethoxyphenyl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-cyclohexyl-2-[(4-phenyl-5-veratryl-1,2,4-triazol-3-yl)thio]propionamide Formula: C26H32N4O3S MolecularWeight: 480.62228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCC1)SC2=NN=C(N2C3=CC=CC=C3)CC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC(C(=O)NC1CCCCC1)SC2=NN=C(N2C3=CC=CC=C3)CC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C26H32N4O3S/c1-18(25(31)27-20-10-6-4-7-11-20)34-26-29-28-24(30(26)21-12-8-5-9-13-21)17-19-14-15-22(32-2)23(16-19)33-3/h5,8-9,12-16,18,20H,4,6-7,10-11,17H2,1-3H3,(H,27,31)