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

Systemtic Name: 7,8-dimethyl-4-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]chromen-2-one Openeye Name: 4-[[5-(isobutylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one CAS Name: 7,8-dimethyl-4-[[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7,8-dimethyl-4-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]chromen-2-one Traditional Name: 4-[[[5-(isobutylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-7,8-dimethyl-coumarin Formula: C18H21N3O2S2 MolecularWeight: 375.50824

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)NCC(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O2S2/c1-10(2)8-19-17-20-21-18(25-17)24-9-13-7-15(22)23-16-12(4)11(3)5-6-14(13)16/h5-7,10H,8-9H2,1-4H3,(H,19,20)