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

Systemtic Name: N-(4-methylphenyl)-2-[[5-(morpholin-4-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-(morpholinomethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(p-tolyl)acetamide CAS Name: N-(4-methylphenyl)-2-[[5-(4-morpholinylmethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-methylphenyl)-2-[[5-(morpholin-4-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[5-(morpholinomethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(p-tolyl)acetamide Formula: C22H25N5O2S MolecularWeight: 423.5312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CN4CCOCC4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CN4CCOCC4

InChI

InChI=1S/C22H25N5O2S/c1-17-7-9-18(10-8-17)23-21(28)16-30-22-25-24-20(15-26-11-13-29-14-12-26)27(22)19-5-3-2-4-6-19/h2-10H,11-16H2,1H3,(H,23,28)