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

Systemtic Name: 6-chloranyl-7-ethyl-4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]chromen-2-one Openeye Name: 6-chloro-7-ethyl-4-[[5-(o-tolyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]chromen-2-one CAS Name: 6-chloro-7-ethyl-4-[[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-ethyl-4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]chromen-2-one Traditional Name: 6-chloro-7-ethyl-4-[[[5-(o-tolyl)-1,3,4-oxadiazol-2-yl]thio]methyl]coumarin Formula: C21H17ClN2O3S MolecularWeight: 412.88928

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(O3)C4=CC=CC=C4C)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(O3)C4=CC=CC=C4C)Cl

InChI

InChI=1S/C21H17ClN2O3S/c1-3-13-8-18-16(10-17(13)22)14(9-19(25)26-18)11-28-21-24-23-20(27-21)15-7-5-4-6-12(15)2/h4-10H,3,11H2,1-2H3