ethyl N-[2-oxidanylidene-4-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-7-yl]carbamate

Systemtic Name: ethyl N-[2-oxidanylidene-4-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-7-yl]carbamate Openeye Name: ethyl N-[4-[(4-isopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-oxo-chromen-7-yl]carbamate CAS Name: N-[2-oxo-4-[[(4-propan-2-yl-1,2,4-triazol-3-yl)thio]methyl]-1-benzopyran-7-yl]carbamic acid ethyl ester IUPAC Name: ethyl N-[2-oxo-4-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-7-yl]carbamate Traditional Name: N-[4-[[(4-isopropyl-1,2,4-triazol-3-yl)thio]methyl]-2-keto-chromen-7-yl]carbamic acid ethyl ester Formula: C18H20N4O4S MolecularWeight: 388.4408

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=CN3C(C)C

Isomeric SMILES

CCOC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=CN3C(C)C

InChI

InChI=1S/C18H20N4O4S/c1-4-25-18(24)20-13-5-6-14-12(7-16(23)26-15(14)8-13)9-27-17-21-19-10-22(17)11(2)3/h5-8,10-11H,4,9H2,1-3H3,(H,20,24)