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

Systemtic Name: 7,8-dimethyl-4-[[5-[(4-phenoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]chromen-2-one Openeye Name: 7,8-dimethyl-4-[[5-(4-phenoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]chromen-2-one CAS Name: 7,8-dimethyl-4-[[[5-(4-phenoxyanilino)-1,3,4-thiadiazol-2-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7,8-dimethyl-4-[[5-(4-phenoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]chromen-2-one Traditional Name: 7,8-dimethyl-4-[[[5-(4-phenoxyanilino)-1,3,4-thiadiazol-2-yl]thio]methyl]coumarin Formula: C26H21N3O3S2 MolecularWeight: 487.59324

Click to see the large picture

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)OC5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(S3)NC4=CC=C(C=C4)OC5=CC=CC=C5)C

InChI

InChI=1S/C26H21N3O3S2/c1-16-8-13-22-18(14-23(30)32-24(22)17(16)2)15-33-26-29-28-25(34-26)27-19-9-11-21(12-10-19)31-20-6-4-3-5-7-20/h3-14H,15H2,1-2H3,(H,27,28)