2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(6-methoxy-2,2,4-trimethyl-quinolin-1-yl)ethanone

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(6-methoxy-2,2,4-trimethyl-quinolin-1-yl)ethanone Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(6-methoxy-2,2,4-trimethyl-1-quinolyl)ethanone CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-(6-methoxy-2,2,4-trimethyl-1-quinolinyl)ethanone IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(6-methoxy-2,2,4-trimethylquinolin-1-yl)ethanone Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-(6-methoxy-2,2,4-trimethyl-1-quinolyl)ethanone Formula: C17H21N5O2S MolecularWeight: 359.44594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(N(C2=C1C=C(C=C2)OC)C(=O)CSC3=NNC(=N3)N)(C)C

Isomeric SMILES

CC1=CC(N(C2=C1C=C(C=C2)OC)C(=O)CSC3=NNC(=N3)N)(C)C

InChI

InChI=1S/C17H21N5O2S/c1-10-8-17(2,3)22(13-6-5-11(24-4)7-12(10)13)14(23)9-25-16-19-15(18)20-21-16/h5-8H,9H2,1-4H3,(H3,18,19,20,21)