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

Systemtic Name: (6-butylsulfonyl-1,3-benzothiazol-2-yl)-phenyl-diazene; 1,1-diethyl-1,2,3-triazirin-1-ium Openeye Name: (6-butylsulfonyl-1,3-benzothiazol-2-yl)-phenyl-diazene; 1,1-diethyltriazirin-1-ium CAS Name: (6-butylsulfonyl-1,3-benzothiazol-2-yl)-phenyldiazene; 1,1-diethyltriazirin-1-ium IUPAC Name: (6-butylsulfonyl-1,3-benzothiazol-2-yl)-phenyldiazene; 1,1-diethyltriazirin-1-ium Traditional Name: (6-butylsulfonyl-1,3-benzothiazol-2-yl)-phenyl-diazene; 1,1-diethyltriazirin-1-ium Formula: C21H27N6O2S2+ MolecularWeight: 459.60808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O2S2.C4H10N3/c1-2-3-11-24(21,22)14-9-10-15-16(12-14)23-17(18-15)20-19-13-7-5-4-6-8-13;1-3-7(4-2)5-6-7/h4-10,12H,2-3,11H2,1H3;3-4H2,1-2H3/q;+1