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

Systemtic Name: 7-methoxy-4-[[1-(2-methylpropyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]chromen-2-one Openeye Name: 4-[(1-isobutyltetrazol-5-yl)sulfanylmethyl]-7-methoxy-chromen-2-one CAS Name: 7-methoxy-4-[[[1-(2-methylpropyl)-5-tetrazolyl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-methoxy-4-[[1-(2-methylpropyl)tetrazol-5-yl]sulfanylmethyl]chromen-2-one Traditional Name: 4-[[(1-isobutyltetrazol-5-yl)thio]methyl]-7-methoxy-coumarin Formula: C16H18N4O3S MolecularWeight: 346.40412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN=N1)SCC2=CC(=O)OC3=C2C=CC(=C3)OC

Isomeric SMILES

CC(C)CN1C(=NN=N1)SCC2=CC(=O)OC3=C2C=CC(=C3)OC

InChI

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