4-ethylsulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide

Systemtic Name: 4-ethylsulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide Openeye Name: 4-ethylsulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide CAS Name: 4-(ethylthio)-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 4-ethylsulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide Traditional Name: 4-(ethylthio)-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide Formula: C16H13N3O3S2 MolecularWeight: 359.42272

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=C(C=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCSC1=CC=C(C=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O3S2/c1-2-23-12-6-3-10(4-7-12)15(20)18-16-17-13-8-5-11(19(21)22)9-14(13)24-16/h3-9H,2H2,1H3,(H,17,18,20)