N-methyl-N-(4-methylcyclohexyl)-2-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-methyl-N-(4-methylcyclohexyl)-2-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-methyl-N-(4-methylcyclohexyl)-2-[(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-methyl-N-(4-methylcyclohexyl)-2-[[5-(4-morpholinyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-methyl-N-(4-methylcyclohexyl)-2-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-methyl-N-(4-methylcyclohexyl)-2-[(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C22H31N5O2S MolecularWeight: 429.57884

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)N(C)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)N4CCOCC4

Isomeric SMILES

CC1CCC(CC1)N(C)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)N4CCOCC4

InChI

InChI=1S/C22H31N5O2S/c1-17-8-10-18(11-9-17)25(2)20(28)16-30-22-24-23-21(26-12-14-29-15-13-26)27(22)19-6-4-3-5-7-19/h3-7,17-18H,8-16H2,1-2H3