N-ethylethanamine; (6-nitro-1,3-benzothiazol-2-yl)-phenyl-diazene

Systemtic Name: N-ethylethanamine; (6-nitro-1,3-benzothiazol-2-yl)-phenyl-diazene Openeye Name: N-ethylethanamine; (6-nitro-1,3-benzothiazol-2-yl)-phenyl-diazene CAS Name: N-ethylethanamine; (6-nitro-1,3-benzothiazol-2-yl)-phenyldiazene IUPAC Name: N-ethylethanamine; (6-nitro-1,3-benzothiazol-2-yl)-phenyldiazene Traditional Name: diethylamine; (6-nitro-1,3-benzothiazol-2-yl)-phenyl-diazene Formula: C17H19N5O2S MolecularWeight: 357.43006

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC.C1=CC=C(C=C1)N=NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCNCC.C1=CC=C(C=C1)N=NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H8N4O2S.C4H11N/c18-17(19)10-6-7-11-12(8-10)20-13(14-11)16-15-9-4-2-1-3-5-9;1-3-5-4-2/h1-8H;5H,3-4H2,1-2H3