4-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-6-ethyl-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-6-ethyl-7-oxidanyl-chromen-2-one Openeye Name: 4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-6-ethyl-7-hydroxy-chromen-2-one CAS Name: 4-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-6-ethyl-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-6-ethyl-7-hydroxychromen-2-one Traditional Name: 4-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-6-ethyl-7-hydroxy-coumarin Formula: C14H14N4O3S MolecularWeight: 318.35096

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NNC(=N3)N)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NNC(=N3)N)O

InChI

InChI=1S/C14H14N4O3S/c1-2-7-3-9-8(6-22-14-16-13(15)17-18-14)4-12(20)21-11(9)5-10(7)19/h3-5,19H,2,6H2,1H3,(H3,15,16,17,18)