ethyl 2-cyano-2-[2-(1H-1,2,4-triazol-5-ylsulfanyl)-3,4-dihydro-2H-naphthalen-1-ylidene]ethanoate

Systemtic Name: ethyl 2-cyano-2-[2-(1H-1,2,4-triazol-5-ylsulfanyl)-3,4-dihydro-2H-naphthalen-1-ylidene]ethanoate Openeye Name: ethyl 2-cyano-2-[2-(1H-1,2,4-triazol-5-ylsulfanyl)tetralin-1-ylidene]acetate CAS Name: 2-cyano-2-[2-(1H-1,2,4-triazol-5-ylthio)-3,4-dihydro-2H-naphthalen-1-ylidene]acetic acid ethyl ester IUPAC Name: ethyl 2-cyano-2-[2-(1H-1,2,4-triazol-5-ylsulfanyl)-3,4-dihydro-2H-naphthalen-1-ylidene]acetate Traditional Name: 2-cyano-2-[2-(1H-1,2,4-triazol-5-ylthio)tetralin-1-ylidene]acetic acid ethyl ester Formula: C17H16N4O2S MolecularWeight: 340.39954

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C1C(CCC2=CC=CC=C21)SC3=NC=NN3)C#N

Isomeric SMILES

CCOC(=O)C(=C1C(CCC2=CC=CC=C21)SC3=NC=NN3)C#N

InChI

InChI=1S/C17H16N4O2S/c1-2-23-16(22)13(9-18)15-12-6-4-3-5-11(12)7-8-14(15)24-17-19-10-20-21-17/h3-6,10,14H,2,7-8H2,1H3,(H,19,20,21)