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

Systemtic Name: 2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4-diethoxyphenyl)ethanamide Openeye Name: 2-[[4-cyclopropyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4-diethoxyphenyl)acetamide CAS Name: 2-[[4-cyclopropyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]-N-(3,4-diethoxyphenyl)acetamide IUPAC Name: 2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4-diethoxyphenyl)acetamide Traditional Name: 2-[(4-cyclopropyl-5-piperidino-1,2,4-triazol-3-yl)thio]-N-(3,4-diethoxyphenyl)acetamide Formula: C22H31N5O3S MolecularWeight: 445.57824

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C3CC3)N4CCCCC4)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C3CC3)N4CCCCC4)OCC

InChI

InChI=1S/C22H31N5O3S/c1-3-29-18-11-8-16(14-19(18)30-4-2)23-20(28)15-31-22-25-24-21(27(22)17-9-10-17)26-12-6-5-7-13-26/h8,11,14,17H,3-7,9-10,12-13,15H2,1-2H3,(H,23,28)