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

Systemtic Name: 1,1-dimethyl-1,2,3-triazirin-1-ium; (6-ethoxy-1,3-benzothiazol-2-yl)-phenyl-diazene Openeye Name: 1,1-dimethyltriazirin-1-ium; (6-ethoxy-1,3-benzothiazol-2-yl)-phenyl-diazene CAS Name: 1,1-dimethyltriazirin-1-ium; (6-ethoxy-1,3-benzothiazol-2-yl)-phenyldiazene IUPAC Name: 1,1-dimethyltriazirin-1-ium; (6-ethoxy-1,3-benzothiazol-2-yl)-phenyldiazene Traditional Name: 1,1-dimethyltriazirin-1-ium; (6-ethoxy-1,3-benzothiazol-2-yl)-phenyl-diazene Formula: C17H19N6OS+ MolecularWeight: 355.43736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3OS.C2H6N3/c1-2-19-12-8-9-13-14(10-12)20-15(16-13)18-17-11-6-4-3-5-7-11;1-5(2)3-4-5/h3-10H,2H2,1H3;1-2H3/q;+1