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

Systemtic Name: 4-[[5-[(4-methoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-6,7-dimethyl-chromen-2-one Openeye Name: 4-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-6,7-dimethyl-chromen-2-one CAS Name: 4-[[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]thio]methyl]-6,7-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-6,7-dimethylchromen-2-one Traditional Name: 6,7-dimethyl-4-[[[5-(p-anisidino)-1,3,4-thiadiazol-2-yl]thio]methyl]coumarin Formula: C21H19N3O3S2 MolecularWeight: 425.52386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=C(S3)NC4=CC=C(C=C4)OC)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=C(S3)NC4=CC=C(C=C4)OC)C

InChI

InChI=1S/C21H19N3O3S2/c1-12-8-17-14(10-19(25)27-18(17)9-13(12)2)11-28-21-24-23-20(29-21)22-15-4-6-16(26-3)7-5-15/h4-10H,11H2,1-3H3,(H,22,23)