N-cycloheptyl-2-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCCC1)SC2=NN=C(N2C3=CC=CC=C3)N4CCOCC4

Isomeric SMILES

CC(C(=O)NC1CCCCCC1)SC2=NN=C(N2C3=CC=CC=C3)N4CCOCC4

InChI

InChI=1S/C22H31N5O2S/c1-17(20(28)23-18-9-5-2-3-6-10-18)30-22-25-24-21(26-13-15-29-16-14-26)27(22)19-11-7-4-8-12-19/h4,7-8,11-12,17-18H,2-3,5-6,9-10,13-16H2,1H3,(H,23,28)