2-[[4-azanyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-yl-2-phenyl-ethanone

Systemtic Name: 2-[[4-azanyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-yl-2-phenyl-ethanone Openeye Name: 2-[[4-amino-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholino-2-phenyl-ethanone CAS Name: 2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-(4-morpholinyl)-2-phenylethanone IUPAC Name: 2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-yl-2-phenylethanone Traditional Name: 2-[[4-amino-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]-1-morpholino-2-phenyl-ethanone Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2N)SC(C3=CC=CC=C3)C(=O)N4CCOCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2N)SC(C3=CC=CC=C3)C(=O)N4CCOCC4

InChI

InChI=1S/C21H23N5O2S/c1-15-7-9-17(10-8-15)19-23-24-21(26(19)22)29-18(16-5-3-2-4-6-16)20(27)25-11-13-28-14-12-25/h2-10,18H,11-14,22H2,1H3