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

Systemtic Name: 4-[[5-[(4-methoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one Openeye Name: 4-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]thio]methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7,8-dimethylchromen-2-one Traditional Name: 7,8-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(C2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(S3)NC4=CC=C(C=C4)OC)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(S3)NC4=CC=C(C=C4)OC)C

InChI

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