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

Systemtic Name: ethyl N-[4-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-2-oxidanylidene-chromen-7-yl]carbamate Openeye Name: ethyl N-[4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-2-oxo-chromen-7-yl]carbamate CAS Name: N-[4-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-2-oxo-1-benzopyran-7-yl]carbamic acid ethyl ester IUPAC Name: ethyl N-[4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-2-oxochromen-7-yl]carbamate Traditional Name: N-[4-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-2-keto-chromen-7-yl]carbamic acid ethyl ester Formula: C15H15N5O4S MolecularWeight: 361.3757

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N5O4S/c1-2-23-15(22)17-9-3-4-10-8(5-12(21)24-11(10)6-9)7-25-14-18-13(16)19-20-14/h3-6H,2,7H2,1H3,(H,17,22)(H3,16,18,19,20)