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

Systemtic Name: 2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)ethanamide Openeye Name: 2-[[4-cyclopropyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide CAS Name: 2-[[4-cyclopropyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]-N-(3,4-dimethoxyphenyl)acetamide IUPAC Name: 2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide Traditional Name: 2-[(4-cyclopropyl-5-piperidino-1,2,4-triazol-3-yl)thio]-N-(3,4-dimethoxyphenyl)acetamide Formula: C20H27N5O3S MolecularWeight: 417.52508

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C3CC3)N4CCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C3CC3)N4CCCCC4)OC

InChI

InChI=1S/C20H27N5O3S/c1-27-16-9-6-14(12-17(16)28-2)21-18(26)13-29-20-23-22-19(25(20)15-7-8-15)24-10-4-3-5-11-24/h6,9,12,15H,3-5,7-8,10-11,13H2,1-2H3,(H,21,26)