4-[[1-(2,6-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-7-methoxy-chromen-2-one

Systemtic Name: 4-[[1-(2,6-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-7-methoxy-chromen-2-one Openeye Name: 4-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-7-methoxy-chromen-2-one CAS Name: 4-[[[1-(2,6-dimethylphenyl)-5-tetrazolyl]thio]methyl]-7-methoxy-1-benzopyran-2-one IUPAC Name: 4-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-7-methoxychromen-2-one Traditional Name: 4-[[[1-(2,6-dimethylphenyl)tetrazol-5-yl]thio]methyl]-7-methoxy-coumarin Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N2C(=NN=N2)SCC3=CC(=O)OC4=C3C=CC(=C4)OC

Isomeric SMILES

CC1=C(C(=CC=C1)C)N2C(=NN=N2)SCC3=CC(=O)OC4=C3C=CC(=C4)OC

InChI

InChI=1S/C20H18N4O3S/c1-12-5-4-6-13(2)19(12)24-20(21-22-23-24)28-11-14-9-18(25)27-17-10-15(26-3)7-8-16(14)17/h4-10H,11H2,1-3H3