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

Systemtic Name: ethyl N-[4-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-oxidanylidene-chromen-7-yl]carbamate Openeye Name: ethyl N-[4-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-oxo-chromen-7-yl]carbamate CAS Name: N-[4-[[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]methyl]-2-oxo-1-benzopyran-7-yl]carbamic acid ethyl ester IUPAC Name: ethyl N-[4-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-oxochromen-7-yl]carbamate Traditional Name: N-[4-[[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]methyl]-2-keto-chromen-7-yl]carbamic acid ethyl ester Formula: C27H22N4O4S MolecularWeight: 498.55298

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H22N4O4S/c1-2-34-27(33)28-20-13-14-22-19(15-24(32)35-23(22)16-20)17-36-26-30-29-25(18-9-5-3-6-10-18)31(26)21-11-7-4-8-12-21/h3-16H,2,17H2,1H3,(H,28,33)