N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-5-nitro-thiophene-2-carboxamide

Systemtic Name: N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-5-nitro-thiophene-2-carboxamide Openeye Name: N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-5-nitro-thiophene-2-carboxamide CAS Name: N-[2-[(2-methoxyphenyl)methylthio]-1,3-benzothiazol-6-yl]-5-nitro-2-thiophenecarboxamide IUPAC Name: N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-5-nitrothiophene-2-carboxamide Traditional Name: 5-nitro-N-[2-(o-anisylthio)-1,3-benzothiazol-6-yl]thiophene-2-carboxamide Formula: C20H15N3O4S3 MolecularWeight: 457.5458

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=C(S4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=C(S4)[N+](=O)[O-]

InChI

InChI=1S/C20H15N3O4S3/c1-27-15-5-3-2-4-12(15)11-28-20-22-14-7-6-13(10-17(14)30-20)21-19(24)16-8-9-18(29-16)23(25)26/h2-10H,11H2,1H3,(H,21,24)