4-[[4-(4-chlorophenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-methyl-6-propan-2-yl-chromen-2-one

Systemtic Name: 4-[[4-(4-chlorophenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-methyl-6-propan-2-yl-chromen-2-one Openeye Name: 4-[[4-(4-chlorophenyl)-5-thioxo-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-6-isopropyl-7-methyl-chromen-2-one CAS Name: 4-[[[4-(4-chlorophenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]thio]methyl]-7-methyl-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 4-[[4-(4-chlorophenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-methyl-6-propan-2-ylchromen-2-one Traditional Name: 4-[[[4-(4-chlorophenyl)-5-thioxo-1,3,4-thiadiazol-2-yl]thio]methyl]-6-isopropyl-7-methyl-coumarin Formula: C22H19ClN2O2S3 MolecularWeight: 475.04646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN(C(=S)S3)C4=CC=C(C=C4)Cl)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN(C(=S)S3)C4=CC=C(C=C4)Cl)C(C)C

InChI

InChI=1S/C22H19ClN2O2S3/c1-12(2)17-10-18-14(9-20(26)27-19(18)8-13(17)3)11-29-21-24-25(22(28)30-21)16-6-4-15(23)5-7-16/h4-10,12H,11H2,1-3H3