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

Systemtic Name: 2-[[5-(morpholin-4-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-butanamide Openeye Name: 2-[[5-(morpholinomethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-butanamide CAS Name: 2-[[5-(4-morpholinylmethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-phenylbutanamide IUPAC Name: 2-[[5-(morpholin-4-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylbutanamide Traditional Name: 2-[[5-(morpholinomethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-phenyl-butyramide Formula: C23H27N5O2S MolecularWeight: 437.55778

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1)SC2=NN=C(N2C3=CC=CC=C3)CN4CCOCC4

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1)SC2=NN=C(N2C3=CC=CC=C3)CN4CCOCC4

InChI

InChI=1S/C23H27N5O2S/c1-2-20(22(29)24-18-9-5-3-6-10-18)31-23-26-25-21(17-27-13-15-30-16-14-27)28(23)19-11-7-4-8-12-19/h3-12,20H,2,13-17H2,1H3,(H,24,29)