2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(8-ethoxy-2,2,4-trimethyl-quinolin-1-yl)ethanone

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(8-ethoxy-2,2,4-trimethyl-quinolin-1-yl)ethanone Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(8-ethoxy-2,2,4-trimethyl-1-quinolyl)ethanone CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-(8-ethoxy-2,2,4-trimethyl-1-quinolinyl)ethanone IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(8-ethoxy-2,2,4-trimethylquinolin-1-yl)ethanone Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-(8-ethoxy-2,2,4-trimethyl-1-quinolyl)ethanone Formula: C18H23N5O2S MolecularWeight: 373.47252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC2=C1N(C(C=C2C)(C)C)C(=O)CSC3=NNC(=N3)N

Isomeric SMILES

CCOC1=CC=CC2=C1N(C(C=C2C)(C)C)C(=O)CSC3=NNC(=N3)N

InChI

InChI=1S/C18H23N5O2S/c1-5-25-13-8-6-7-12-11(2)9-18(3,4)23(15(12)13)14(24)10-26-17-20-16(19)21-22-17/h6-9H,5,10H2,1-4H3,(H3,19,20,21,22)