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

Systemtic Name: 2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-butanamide Openeye Name: 2-[[4-methyl-5-(morpholinomethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-butanamide CAS Name: 2-[[4-methyl-5-(4-morpholinylmethyl)-1,2,4-triazol-3-yl]thio]-N-phenylbutanamide IUPAC Name: 2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylbutanamide Traditional Name: 2-[[4-methyl-5-(morpholinomethyl)-1,2,4-triazol-3-yl]thio]-N-phenyl-butyramide Formula: C18H25N5O2S MolecularWeight: 375.4884

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1)SC2=NN=C(N2C)CN3CCOCC3

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1)SC2=NN=C(N2C)CN3CCOCC3

InChI

InChI=1S/C18H25N5O2S/c1-3-15(17(24)19-14-7-5-4-6-8-14)26-18-21-20-16(22(18)2)13-23-9-11-25-12-10-23/h4-8,15H,3,9-13H2,1-2H3,(H,19,24)