ethyl N-[2-oxidanylidene-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-7-yl]carbamate

Systemtic Name: ethyl N-[2-oxidanylidene-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-7-yl]carbamate Openeye Name: ethyl N-[2-oxo-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-7-yl]carbamate CAS Name: N-[2-oxo-4-[[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]-1-benzopyran-7-yl]carbamic acid ethyl ester IUPAC Name: ethyl N-[2-oxo-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-7-yl]carbamate Traditional Name: N-[2-keto-4-[[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]chromen-7-yl]carbamic acid ethyl ester Formula: C21H18N4O4S MolecularWeight: 422.45702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NNC(=N3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NNC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C21H18N4O4S/c1-2-28-21(27)22-15-8-9-16-14(10-18(26)29-17(16)11-15)12-30-20-23-19(24-25-20)13-6-4-3-5-7-13/h3-11H,2,12H2,1H3,(H,22,27)(H,23,24,25)