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

Systemtic Name: 7-methyl-4-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-6-propan-2-yl-chromen-2-one Openeye Name: 6-isopropyl-7-methyl-4-[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)sulfanylmethyl]chromen-2-one CAS Name: 7-methyl-4-[[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)thio]methyl]-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 7-methyl-4-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-6-propan-2-ylchromen-2-one Traditional Name: 6-isopropyl-7-methyl-4-[[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)thio]methyl]coumarin Formula: C22H20N2O2S3 MolecularWeight: 440.6014

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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=CC=C4)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O2S3/c1-13(2)17-11-18-15(10-20(25)26-19(18)9-14(17)3)12-28-21-23-24(22(27)29-21)16-7-5-4-6-8-16/h4-11,13H,12H2,1-3H3