4-[[1-(3-chlorophenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-8-methyl-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[[1-(3-chlorophenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-8-methyl-7-oxidanyl-chromen-2-one Openeye Name: 4-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-7-hydroxy-8-methyl-chromen-2-one CAS Name: 4-[[[1-(3-chlorophenyl)-5-tetrazolyl]thio]methyl]-7-hydroxy-8-methyl-1-benzopyran-2-one IUPAC Name: 4-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-7-hydroxy-8-methylchromen-2-one Traditional Name: 4-[[[1-(3-chlorophenyl)tetrazol-5-yl]thio]methyl]-7-hydroxy-8-methyl-coumarin Formula: C18H13ClN4O3S MolecularWeight: 400.83882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2CSC3=NN=NN3C4=CC(=CC=C4)Cl)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2CSC3=NN=NN3C4=CC(=CC=C4)Cl)O

InChI

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