4-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-8-methyl-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-8-methyl-7-oxidanyl-chromen-2-one Openeye Name: 4-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-7-hydroxy-8-methyl-chromen-2-one CAS Name: 4-[[(1-tert-butyl-5-tetrazolyl)thio]methyl]-7-hydroxy-8-methyl-1-benzopyran-2-one IUPAC Name: 4-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-7-hydroxy-8-methylchromen-2-one Traditional Name: 4-[[(1-tert-butyltetrazol-5-yl)thio]methyl]-7-hydroxy-8-methyl-coumarin Formula: C16H18N4O3S MolecularWeight: 346.40412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2CSC3=NN=NN3C(C)(C)C)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2CSC3=NN=NN3C(C)(C)C)O

InChI

InChI=1S/C16H18N4O3S/c1-9-12(21)6-5-11-10(7-13(22)23-14(9)11)8-24-15-17-18-19-20(15)16(2,3)4/h5-7,21H,8H2,1-4H3