2-ethylsulfanyl-N-[[5-(4-nitrophenyl)-1,2,3,4-tetrazol-1-yl]methyl]-1,3-benzothiazol-6-amine

Systemtic Name: 2-ethylsulfanyl-N-[[5-(4-nitrophenyl)-1,2,3,4-tetrazol-1-yl]methyl]-1,3-benzothiazol-6-amine Openeye Name: 2-ethylsulfanyl-N-[[5-(4-nitrophenyl)tetrazol-1-yl]methyl]-1,3-benzothiazol-6-amine CAS Name: 2-(ethylthio)-N-[[5-(4-nitrophenyl)-1-tetrazolyl]methyl]-1,3-benzothiazol-6-amine IUPAC Name: 2-ethylsulfanyl-N-[[5-(4-nitrophenyl)tetrazol-1-yl]methyl]-1,3-benzothiazol-6-amine Traditional Name: [2-(ethylthio)-1,3-benzothiazol-6-yl]-[[5-(4-nitrophenyl)tetrazol-1-yl]methyl]amine Formula: C17H15N7O2S2 MolecularWeight: 413.4767

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(S1)C=C(C=C2)NCN3C(=NN=N3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCSC1=NC2=C(S1)C=C(C=C2)NCN3C(=NN=N3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H15N7O2S2/c1-2-27-17-19-14-8-5-12(9-15(14)28-17)18-10-23-16(20-21-22-23)11-3-6-13(7-4-11)24(25)26/h3-9,18H,2,10H2,1H3