N-[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]-1-(3-nitrophenyl)methanimine

Systemtic Name: N-[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]-1-(3-nitrophenyl)methanimine Openeye Name: N-[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]-1-(3-nitrophenyl)methanimine CAS Name: N-[5-[(1,3-benzothiazol-2-ylthio)methyl]-1,3,4-thiadiazol-2-yl]-1-(3-nitrophenyl)methanimine IUPAC Name: N-[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]-1-(3-nitrophenyl)methanimine Traditional Name: (E)-[5-[(1,3-benzothiazol-2-ylthio)methyl]-1,3,4-thiadiazol-2-yl]-(3-nitrobenzylidene)amine Formula: C17H11N5O2S3 MolecularWeight: 413.49654

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCC3=NN=C(S3)N=CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCC3=NN=C(S3)/N=C/C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H11N5O2S3/c23-22(24)12-5-3-4-11(8-12)9-18-16-21-20-15(27-16)10-25-17-19-13-6-1-2-7-14(13)26-17/h1-9H,10H2/b18-9+