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

Systemtic Name: 6-chloranyl-4-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-7-methyl-chromen-2-one Openeye Name: 6-chloro-4-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-7-methyl-chromen-2-one CAS Name: 6-chloro-4-[[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]thio]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 6-chloro-4-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-7-methylchromen-2-one Traditional Name: 6-chloro-7-methyl-4-[[(5-p-anisyl-1,3,4-oxadiazol-2-yl)thio]methyl]coumarin Formula: C21H17ClN2O4S MolecularWeight: 428.88868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(O3)CC4=CC=C(C=C4)OC)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(O3)CC4=CC=C(C=C4)OC)Cl

InChI

InChI=1S/C21H17ClN2O4S/c1-12-7-18-16(10-17(12)22)14(9-20(25)27-18)11-29-21-24-23-19(28-21)8-13-3-5-15(26-2)6-4-13/h3-7,9-10H,8,11H2,1-2H3