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

Systemtic Name: 2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4-diethoxyphenyl)ethanamide Openeye Name: 2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4-diethoxyphenyl)acetamide CAS Name: 2-[[4-cyclopropyl-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]-N-(3,4-diethoxyphenyl)acetamide IUPAC Name: 2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4-diethoxyphenyl)acetamide Traditional Name: 2-[(4-cyclopropyl-5-pyrrolidino-1,2,4-triazol-3-yl)thio]-N-(3,4-diethoxyphenyl)acetamide Formula: C21H29N5O3S MolecularWeight: 431.55166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C3CC3)N4CCCC4)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C3CC3)N4CCCC4)OCC

InChI

InChI=1S/C21H29N5O3S/c1-3-28-17-10-7-15(13-18(17)29-4-2)22-19(27)14-30-21-24-23-20(25-11-5-6-12-25)26(21)16-8-9-16/h7,10,13,16H,3-6,8-9,11-12,14H2,1-2H3,(H,22,27)