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

Systemtic Name: 7,8-dimethyl-4-[[5-[(2-methylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]chromen-2-one Openeye Name: 7,8-dimethyl-4-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]chromen-2-one CAS Name: 7,8-dimethyl-4-[[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7,8-dimethyl-4-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]chromen-2-one Traditional Name: 7,8-dimethyl-4-[[[5-(o-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=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(S3)NC4=CC=CC=C4C)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(S3)NC4=CC=CC=C4C)C

InChI

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