4-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-7-oxidanyl-chromen-2-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=NN1)SCC2=CC(=O)OC3=C2C=CC(=C3)O

Isomeric SMILES

CC(C)(C)C1=NC(=NN1)SCC2=CC(=O)OC3=C2C=CC(=C3)O

InChI

InChI=1S/C16H17N3O3S/c1-16(2,3)14-17-15(19-18-14)23-8-9-6-13(21)22-12-7-10(20)4-5-11(9)12/h4-7,20H,8H2,1-3H3,(H,17,18,19)