N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[[4-phenyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[[4-phenyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-ethyl-2-[(4-phenyl-5-piperidino-1,2,4-triazol-3-yl)thio]-N-veratryl-acetamide Formula: C26H33N5O3S MolecularWeight: 495.63692

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=C(C=C1)OC)OC)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)N4CCCCC4

Isomeric SMILES

CCN(CC1=CC(=C(C=C1)OC)OC)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)N4CCCCC4

InChI

InChI=1S/C26H33N5O3S/c1-4-29(18-20-13-14-22(33-2)23(17-20)34-3)24(32)19-35-26-28-27-25(30-15-9-6-10-16-30)31(26)21-11-7-5-8-12-21/h5,7-8,11-14,17H,4,6,9-10,15-16,18-19H2,1-3H3