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

Systemtic Name: N-(3,4-diethoxyphenyl)-2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(3,4-diethoxyphenyl)-2-[[4-phenyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(3,4-diethoxyphenyl)-2-[[4-phenyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3,4-diethoxyphenyl)-2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(3,4-diethoxyphenyl)-2-[(4-phenyl-5-piperidino-1,2,4-triazol-3-yl)thio]acetamide Formula: C25H31N5O3S MolecularWeight: 481.61034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)N4CCCCC4)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)N4CCCCC4)OCC

InChI

InChI=1S/C25H31N5O3S/c1-3-32-21-14-13-19(17-22(21)33-4-2)26-23(31)18-34-25-28-27-24(29-15-9-6-10-16-29)30(25)20-11-7-5-8-12-20/h5,7-8,11-14,17H,3-4,6,9-10,15-16,18H2,1-2H3,(H,26,31)