ethyl N-[2-oxidanylidene-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)chromen-7-yl]carbamate

Systemtic Name: ethyl N-[2-oxidanylidene-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)chromen-7-yl]carbamate Openeye Name: ethyl N-[2-oxo-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)chromen-7-yl]carbamate CAS Name: N-[2-oxo-4-[(1H-1,2,4-triazol-5-ylthio)methyl]-1-benzopyran-7-yl]carbamic acid ethyl ester IUPAC Name: ethyl N-[2-oxo-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)chromen-7-yl]carbamate Traditional Name: N-[2-keto-4-[(1H-1,2,4-triazol-5-ylthio)methyl]chromen-7-yl]carbamic acid ethyl ester Formula: C15H14N4O4S MolecularWeight: 346.36106

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC=NN3

Isomeric SMILES

CCOC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC=NN3

InChI

InChI=1S/C15H14N4O4S/c1-2-22-15(21)18-10-3-4-11-9(5-13(20)23-12(11)6-10)7-24-14-16-8-17-19-14/h3-6,8H,2,7H2,1H3,(H,18,21)(H,16,17,19)