4-methoxy-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-6-nitro-1,3-benzothiazol-2-amine

Systemtic Name: 4-methoxy-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-6-nitro-1,3-benzothiazol-2-amine Openeye Name: 4-methoxy-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-6-nitro-1,3-benzothiazol-2-amine CAS Name: 4-methoxy-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-6-nitro-1,3-benzothiazol-2-amine IUPAC Name: 4-methoxy-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-6-nitro-1,3-benzothiazol-2-amine Traditional Name: (4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-[6-(methylthio)-1,3-benzothiazol-2-yl]amine Formula: C16H12N4O3S3 MolecularWeight: 404.48648

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1)[N+](=O)[O-])SC(=N2)NC3=NC4=C(S3)C=C(C=C4)SC

Isomeric SMILES

COC1=C2C(=CC(=C1)[N+](=O)[O-])SC(=N2)NC3=NC4=C(S3)C=C(C=C4)SC

InChI

InChI=1S/C16H12N4O3S3/c1-23-11-5-8(20(21)22)6-13-14(11)18-16(26-13)19-15-17-10-4-3-9(24-2)7-12(10)25-15/h3-7H,1-2H3,(H,17,18,19)