2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-diethylphenyl)ethanamide

Systemtic Name: 2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-diethylphenyl)ethanamide Openeye Name: 2-[(4-cyclopropyl-5-morpholino-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-diethylphenyl)acetamide CAS Name: 2-[[4-cyclopropyl-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]-N-(2,6-diethylphenyl)acetamide IUPAC Name: 2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-diethylphenyl)acetamide Traditional Name: 2-[(4-cyclopropyl-5-morpholino-1,2,4-triazol-3-yl)thio]-N-(2,6-diethylphenyl)acetamide Formula: C21H29N5O2S MolecularWeight: 415.55226

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=NN=C(N2C3CC3)N4CCOCC4

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=NN=C(N2C3CC3)N4CCOCC4

InChI

InChI=1S/C21H29N5O2S/c1-3-15-6-5-7-16(4-2)19(15)22-18(27)14-29-21-24-23-20(26(21)17-8-9-17)25-10-12-28-13-11-25/h5-7,17H,3-4,8-14H2,1-2H3,(H,22,27)