8-methyl-7-oxidanyl-4-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one

Systemtic Name: 8-methyl-7-oxidanyl-4-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Openeye Name: 7-hydroxy-8-methyl-4-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one CAS Name: 7-hydroxy-8-methyl-4-[[(5-propyl-1H-1,2,4-triazol-3-yl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-8-methyl-4-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Traditional Name: 7-hydroxy-8-methyl-4-[[(5-propyl-1H-1,2,4-triazol-3-yl)thio]methyl]coumarin Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SCC2=CC(=O)OC3=C2C=CC(=C3C)O

Isomeric SMILES

CCCC1=NC(=NN1)SCC2=CC(=O)OC3=C2C=CC(=C3C)O

InChI

InChI=1S/C16H17N3O3S/c1-3-4-13-17-16(19-18-13)23-8-10-7-14(21)22-15-9(2)12(20)6-5-11(10)15/h5-7,20H,3-4,8H2,1-2H3,(H,17,18,19)