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

Systemtic Name: 8-methyl-4-[[1-(2-methylpropyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-7-oxidanyl-chromen-2-one Openeye Name: 7-hydroxy-4-[(1-isobutyltetrazol-5-yl)sulfanylmethyl]-8-methyl-chromen-2-one CAS Name: 7-hydroxy-8-methyl-4-[[[1-(2-methylpropyl)-5-tetrazolyl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-8-methyl-4-[[1-(2-methylpropyl)tetrazol-5-yl]sulfanylmethyl]chromen-2-one Traditional Name: 7-hydroxy-4-[[(1-isobutyltetrazol-5-yl)thio]methyl]-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=NN3CC(C)C)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2CSC3=NN=NN3CC(C)C)O

InChI

InChI=1S/C16H18N4O3S/c1-9(2)7-20-16(17-18-19-20)24-8-11-6-14(22)23-15-10(3)13(21)5-4-12(11)15/h4-6,9,21H,7-8H2,1-3H3