2-[[4-(4-methoxyphenyl)-5-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-yl-ethanone

Systemtic Name: 2-[[4-(4-methoxyphenyl)-5-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-yl-ethanone Openeye Name: 2-[[4-(4-methoxyphenyl)-5-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholino-ethanone CAS Name: 2-[[4-(4-methoxyphenyl)-5-phenethyl-1,2,4-triazol-3-yl]thio]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[[4-(4-methoxyphenyl)-5-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone Traditional Name: 2-[[4-(4-methoxyphenyl)-5-phenethyl-1,2,4-triazol-3-yl]thio]-1-morpholino-ethanone Formula: C23H26N4O3S MolecularWeight: 438.54254

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N3CCOCC3)CCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N3CCOCC3)CCC4=CC=CC=C4

InChI

InChI=1S/C23H26N4O3S/c1-29-20-10-8-19(9-11-20)27-21(12-7-18-5-3-2-4-6-18)24-25-23(27)31-17-22(28)26-13-15-30-16-14-26/h2-6,8-11H,7,12-17H2,1H3