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

Systemtic Name: 5-nitro-N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]thiophene-2-carboxamide Openeye Name: N-[2-(2-isopropylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]-5-nitro-thiophene-2-carboxamide CAS Name: 5-nitro-N-[2-[2-(propan-2-ylthio)ethylthio]-1,3-benzothiazol-6-yl]-2-thiophenecarboxamide IUPAC Name: 5-nitro-N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]thiophene-2-carboxamide Traditional Name: N-[2-[2-(isopropylthio)ethylthio]-1,3-benzothiazol-6-yl]-5-nitro-thiophene-2-carboxamide Formula: C17H17N3O3S4 MolecularWeight: 439.59518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

CC(C)SCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O3S4/c1-10(2)24-7-8-25-17-19-12-4-3-11(9-14(12)27-17)18-16(21)13-5-6-15(26-13)20(22)23/h3-6,9-10H,7-8H2,1-2H3,(H,18,21)