6-chloranyl-4-[[1-(2-ethoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-7-ethyl-chromen-2-one

Systemtic Name: 6-chloranyl-4-[[1-(2-ethoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-7-ethyl-chromen-2-one Openeye Name: 6-chloro-4-[[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-7-ethyl-chromen-2-one CAS Name: 6-chloro-4-[[[1-(2-ethoxyphenyl)-5-tetrazolyl]thio]methyl]-7-ethyl-1-benzopyran-2-one IUPAC Name: 6-chloro-4-[[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-7-ethylchromen-2-one Traditional Name: 6-chloro-7-ethyl-4-[[(1-o-phenetyltetrazol-5-yl)thio]methyl]coumarin Formula: C21H19ClN4O3S MolecularWeight: 442.91856

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=NN3C4=CC=CC=C4OCC)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=NN3C4=CC=CC=C4OCC)Cl

InChI

InChI=1S/C21H19ClN4O3S/c1-3-13-9-19-15(11-16(13)22)14(10-20(27)29-19)12-30-21-23-24-25-26(21)17-7-5-6-8-18(17)28-4-2/h5-11H,3-4,12H2,1-2H3