1,1-diethyl-1,2,3-triazirin-1-ium; (6-nitro-1,3-benzothiazol-2-yl)-phenyl-diazene

Systemtic Name: 1,1-diethyl-1,2,3-triazirin-1-ium; (6-nitro-1,3-benzothiazol-2-yl)-phenyl-diazene Openeye Name: 1,1-diethyltriazirin-1-ium; (6-nitro-1,3-benzothiazol-2-yl)-phenyl-diazene CAS Name: 1,1-diethyltriazirin-1-ium; (6-nitro-1,3-benzothiazol-2-yl)-phenyldiazene IUPAC Name: 1,1-diethyltriazirin-1-ium; (6-nitro-1,3-benzothiazol-2-yl)-phenyldiazene Traditional Name: 1,1-diethyltriazirin-1-ium; (6-nitro-1,3-benzothiazol-2-yl)-phenyl-diazene Formula: C17H18N7O2S+ MolecularWeight: 384.43552

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(N=N1)CC.C1=CC=C(C=C1)N=NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC[N+]1(N=N1)CC.C1=CC=C(C=C1)N=NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H8N4O2S.C4H10N3/c18-17(19)10-6-7-11-12(8-10)20-13(14-11)16-15-9-4-2-1-3-5-9;1-3-7(4-2)5-6-7/h1-8H;3-4H2,1-2H3/q;+1