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

Systemtic Name: 2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4-diethoxyphenyl)ethanamide Openeye Name: 2-[(4-cyclopropyl-5-morpholino-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4-diethoxyphenyl)acetamide CAS Name: 2-[[4-cyclopropyl-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]-N-(3,4-diethoxyphenyl)acetamide IUPAC Name: 2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4-diethoxyphenyl)acetamide Traditional Name: 2-[(4-cyclopropyl-5-morpholino-1,2,4-triazol-3-yl)thio]-N-(3,4-diethoxyphenyl)acetamide Formula: C21H29N5O4S MolecularWeight: 447.55106

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C3CC3)N4CCOCC4)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C3CC3)N4CCOCC4)OCC

InChI

InChI=1S/C21H29N5O4S/c1-3-29-17-8-5-15(13-18(17)30-4-2)22-19(27)14-31-21-24-23-20(26(21)16-6-7-16)25-9-11-28-12-10-25/h5,8,13,16H,3-4,6-7,9-12,14H2,1-2H3,(H,22,27)