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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NN=C(S1)SCC2=CC(=O)OC3=C2C=CC(=C3C)C

Isomeric SMILES

CCCCNC1=NN=C(S1)SCC2=CC(=O)OC3=C2C=CC(=C3C)C

InChI

InChI=1S/C18H21N3O2S2/c1-4-5-8-19-17-20-21-18(25-17)24-10-13-9-15(22)23-16-12(3)11(2)6-7-14(13)16/h6-7,9H,4-5,8,10H2,1-3H3,(H,19,20)