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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N5O2S/c1-21(2,3)15-4-6-16(7-5-15)22-18(27)14-29-20-24-23-19(26(20)17-8-9-17)25-10-12-28-13-11-25/h4-7,17H,8-14H2,1-3H3,(H,22,27)