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

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-2-[(4-cyclopropyl-5-morpholino-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(3-chloro-4-methoxyphenyl)-2-[[4-cyclopropyl-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-2-[(4-cyclopropyl-5-morpholino-1,2,4-triazol-3-yl)thio]acetamide Formula: C18H22ClN5O3S MolecularWeight: 423.91698

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C3CC3)N4CCOCC4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C3CC3)N4CCOCC4)Cl

InChI

InChI=1S/C18H22ClN5O3S/c1-26-15-5-2-12(10-14(15)19)20-16(25)11-28-18-22-21-17(24(18)13-3-4-13)23-6-8-27-9-7-23/h2,5,10,13H,3-4,6-9,11H2,1H3,(H,20,25)