6,7-dimethyl-4-[[5-[(3-methylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]chromen-2-one

Systemtic Name: 6,7-dimethyl-4-[[5-[(3-methylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]chromen-2-one Openeye Name: 6,7-dimethyl-4-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]chromen-2-one CAS Name: 6,7-dimethyl-4-[[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 6,7-dimethyl-4-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]chromen-2-one Traditional Name: 6,7-dimethyl-4-[[[5-(m-toluidino)-1,3,4-thiadiazol-2-yl]thio]methyl]coumarin Formula: C21H19N3O2S2 MolecularWeight: 409.52446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NN=C(S2)SCC3=CC(=O)OC4=CC(=C(C=C34)C)C

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NN=C(S2)SCC3=CC(=O)OC4=CC(=C(C=C34)C)C

InChI

InChI=1S/C21H19N3O2S2/c1-12-5-4-6-16(7-12)22-20-23-24-21(28-20)27-11-15-10-19(25)26-18-9-14(3)13(2)8-17(15)18/h4-10H,11H2,1-3H3,(H,22,23)