N-[4-[(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-oxidanylidene-chromen-7-yl]ethanamide

Systemtic Name: N-[4-[(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-oxidanylidene-chromen-7-yl]ethanamide Openeye Name: N-[4-[(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-oxo-chromen-7-yl]acetamide CAS Name: N-[4-[[[5-(butylthio)-1,3,4-thiadiazol-2-yl]thio]methyl]-2-oxo-1-benzopyran-7-yl]acetamide IUPAC Name: N-[4-[(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-oxochromen-7-yl]acetamide Traditional Name: N-[4-[[[5-(butylthio)-1,3,4-thiadiazol-2-yl]thio]methyl]-2-keto-chromen-7-yl]acetamide Formula: C18H19N3O3S3 MolecularWeight: 421.55676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C(S1)SCC2=CC(=O)OC3=C2C=CC(=C3)NC(=O)C

Isomeric SMILES

CCCCSC1=NN=C(S1)SCC2=CC(=O)OC3=C2C=CC(=C3)NC(=O)C

InChI

InChI=1S/C18H19N3O3S3/c1-3-4-7-25-17-20-21-18(27-17)26-10-12-8-16(23)24-15-9-13(19-11(2)22)5-6-14(12)15/h5-6,8-9H,3-4,7,10H2,1-2H3,(H,19,22)