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

Systemtic Name: 6-chloranyl-4-[[1-(4-hydroxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-7-methyl-chromen-2-one Openeye Name: 6-chloro-4-[[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylmethyl]-7-methyl-chromen-2-one CAS Name: 6-chloro-4-[[[1-(4-hydroxyphenyl)-5-tetrazolyl]thio]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 6-chloro-4-[[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylmethyl]-7-methylchromen-2-one Traditional Name: 6-chloro-4-[[[1-(4-hydroxyphenyl)tetrazol-5-yl]thio]methyl]-7-methyl-coumarin Formula: C18H13ClN4O3S MolecularWeight: 400.83882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=NN3C4=CC=C(C=C4)O)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=NN3C4=CC=C(C=C4)O)Cl

InChI

InChI=1S/C18H13ClN4O3S/c1-10-6-16-14(8-15(10)19)11(7-17(25)26-16)9-27-18-20-21-22-23(18)12-2-4-13(24)5-3-12/h2-8,24H,9H2,1H3