3-methylsulfanyl-1-[5-[(4-nitrophenyl)amino]-1,3,4-thiadiazol-2-yl]-6,7-dihydro-5H-2-benzothiophen-4-one

Systemtic Name: 3-methylsulfanyl-1-[5-[(4-nitrophenyl)amino]-1,3,4-thiadiazol-2-yl]-6,7-dihydro-5H-2-benzothiophen-4-one Openeye Name: 3-methylsulfanyl-1-[5-(4-nitroanilino)-1,3,4-thiadiazol-2-yl]-6,7-dihydro-5H-2-benzothiophen-4-one CAS Name: 3-(methylthio)-1-[5-(4-nitroanilino)-1,3,4-thiadiazol-2-yl]-6,7-dihydro-5H-2-benzothiophen-4-one IUPAC Name: 3-methylsulfanyl-1-[5-(4-nitroanilino)-1,3,4-thiadiazol-2-yl]-6,7-dihydro-5H-2-benzothiophen-4-one Traditional Name: 3-(methylthio)-1-[5-(4-nitroanilino)-1,3,4-thiadiazol-2-yl]-6,7-dihydro-5H-isobenzothiophen-4-one Formula: C17H14N4O3S3 MolecularWeight: 418.51306

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C2C(=C(S1)C3=NN=C(S3)NC4=CC=C(C=C4)[N+](=O)[O-])CCCC2=O

Isomeric SMILES

CSC1=C2C(=C(S1)C3=NN=C(S3)NC4=CC=C(C=C4)[N+](=O)[O-])CCCC2=O

InChI

InChI=1S/C17H14N4O3S3/c1-25-16-13-11(3-2-4-12(13)22)14(26-16)15-19-20-17(27-15)18-9-5-7-10(8-6-9)21(23)24/h5-8H,2-4H2,1H3,(H,18,20)