N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-5-nitro-benzothiophene-2-carboxamide Formula: C13H10N4O3S3 MolecularWeight: 366.4385

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(S1)NC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CCSC1=NN=C(S1)NC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H10N4O3S3/c1-2-21-13-16-15-12(23-13)14-11(18)10-6-7-5-8(17(19)20)3-4-9(7)22-10/h3-6H,2H2,1H3,(H,14,15,18)