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

Systemtic Name: ethyl N-[2-oxidanylidene-4-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-7-yl]carbamate Openeye Name: ethyl N-[4-[(4-allyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-oxo-chromen-7-yl]carbamate CAS Name: N-[2-oxo-4-[[(4-prop-2-enyl-1,2,4-triazol-3-yl)thio]methyl]-1-benzopyran-7-yl]carbamic acid ethyl ester IUPAC Name: ethyl N-[2-oxo-4-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-7-yl]carbamate Traditional Name: N-[4-[[(4-allyl-1,2,4-triazol-3-yl)thio]methyl]-2-keto-chromen-7-yl]carbamic acid ethyl ester Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=CN3CC=C

Isomeric SMILES

CCOC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=CN3CC=C

InChI

InChI=1S/C18H18N4O4S/c1-3-7-22-11-19-21-17(22)27-10-12-8-16(23)26-15-9-13(5-6-14(12)15)20-18(24)25-4-2/h3,5-6,8-9,11H,1,4,7,10H2,2H3,(H,20,24)