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

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(6-ethoxy-2,2,4-trimethyl-quinolin-1-yl)ethanone Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(6-ethoxy-2,2,4-trimethyl-1-quinolyl)ethanone CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-(6-ethoxy-2,2,4-trimethyl-1-quinolinyl)ethanone IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)ethanone Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-(6-ethoxy-2,2,4-trimethyl-1-quinolyl)ethanone Formula: C18H23N5O2S MolecularWeight: 373.47252

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(C=C2C)(C)C)C(=O)CSC3=NNC(=N3)N

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(C=C2C)(C)C)C(=O)CSC3=NNC(=N3)N

InChI

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