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

Systemtic Name: 1,1-diethyl-1,2,3-triazirin-1-ium; (6-ethoxy-1,3-benzothiazol-2-yl)-phenyl-diazene Openeye Name: 1,1-diethyltriazirin-1-ium; (6-ethoxy-1,3-benzothiazol-2-yl)-phenyl-diazene CAS Name: 1,1-diethyltriazirin-1-ium; (6-ethoxy-1,3-benzothiazol-2-yl)-phenyldiazene IUPAC Name: 1,1-diethyltriazirin-1-ium; (6-ethoxy-1,3-benzothiazol-2-yl)-phenyldiazene Traditional Name: 1,1-diethyltriazirin-1-ium; (6-ethoxy-1,3-benzothiazol-2-yl)-phenyl-diazene Formula: C19H23N6OS+ MolecularWeight: 383.49052

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(N=N1)CC.CCOC1=CC2=C(C=C1)N=C(S2)N=NC3=CC=CC=C3

Isomeric SMILES

CC[N+]1(N=N1)CC.CCOC1=CC2=C(C=C1)N=C(S2)N=NC3=CC=CC=C3

InChI

InChI=1S/C15H13N3OS.C4H10N3/c1-2-19-12-8-9-13-14(10-12)20-15(16-13)18-17-11-6-4-3-5-7-11;1-3-7(4-2)5-6-7/h3-10H,2H2,1H3;3-4H2,1-2H3/q;+1