4-[[4-(4-chlorophenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one

Systemtic Name: 4-[[4-(4-chlorophenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one Openeye Name: 4-[[4-(4-chlorophenyl)-5-thioxo-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[[[4-(4-chlorophenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]thio]methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(4-chlorophenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7,8-dimethylchromen-2-one Traditional Name: 4-[[[4-(4-chlorophenyl)-5-thioxo-1,3,4-thiadiazol-2-yl]thio]methyl]-7,8-dimethyl-coumarin Formula: C20H15ClN2O2S3 MolecularWeight: 446.9933

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NN(C(=S)S3)C4=CC=C(C=C4)Cl)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NN(C(=S)S3)C4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C20H15ClN2O2S3/c1-11-3-8-16-13(9-17(24)25-18(16)12(11)2)10-27-19-22-23(20(26)28-19)15-6-4-14(21)5-7-15/h3-9H,10H2,1-2H3