N,N-diethyl-2-(2-prop-2-enylsulfanylbenzimidazol-1-yl)ethanamine; 2,4,6-trinitrophenolate

Systemtic Name: N,N-diethyl-2-(2-prop-2-enylsulfanylbenzimidazol-1-yl)ethanamine; 2,4,6-trinitrophenolate Openeye Name: 2-(2-allylsulfanylbenzimidazol-1-yl)-N,N-diethyl-ethanamine; 2,4,6-trinitrophenolate CAS Name: N,N-diethyl-2-[2-(prop-2-enylthio)-1-benzimidazolyl]ethanamine; 2,4,6-trinitrophenolate IUPAC Name: N,N-diethyl-2-(2-prop-2-enylsulfanylbenzimidazol-1-yl)ethanamine; 2,4,6-trinitrophenolate Traditional Name: 2-[2-(allylthio)benzimidazol-1-yl]ethyl-diethyl-amine picrate Formula: C22H25N6O7S- MolecularWeight: 517.5349

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C2=CC=CC=C2N=C1SCC=C.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CCN1C2=CC=CC=C2N=C1SCC=C.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H23N3S.C6H3N3O7/c1-4-13-20-16-17-14-9-7-8-10-15(14)19(16)12-11-18(5-2)6-3;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h4,7-10H,1,5-6,11-13H2,2-3H3;1-2,10H/p-1