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

Systemtic Name: 4-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-7-methyl-chromen-2-one Openeye Name: 4-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-7-methyl-chromen-2-one CAS Name: 4-[[(1-tert-butyl-5-tetrazolyl)thio]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-7-methylchromen-2-one Traditional Name: 4-[[(1-tert-butyltetrazol-5-yl)thio]methyl]-7-methyl-coumarin Formula: C16H18N4O2S MolecularWeight: 330.40472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=NN3C(C)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=NN3C(C)(C)C

InChI

InChI=1S/C16H18N4O2S/c1-10-5-6-12-11(8-14(21)22-13(12)7-10)9-23-15-17-18-19-20(15)16(2,3)4/h5-8H,9H2,1-4H3