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2-ethyl-7-nitro-10-sulfanylidene-4,5,8,9-tetrahydrothieno[3,2-c][1,5]benzodiazepin-10-ium

2-ethyl-7-nitro-10-sulfanylidene-4,5,8,9-tetrahydrothieno[3,2-c][1,5]benzodiazepin-10-ium

Systemtic Name:2-ethyl-7-nitro-10-sulfanylidene-4,5,8,9-tetrahydrothieno[3,2-c][1,5]benzodiazepin-10-ium
Openeye Name:2-ethyl-7-nitro-10-thioxo-4,5,8,9-tetrahydrothieno[3,2-c][1,5]benzodiazepin-10-ium
CAS Name:2-ethyl-7-nitro-10-sulfanylidene-4,5,8,9-tetrahydrothieno[3,2-c][1,5]benzodiazepin-10-ium
IUPAC Name:2-ethyl-7-nitro-10-sulfanylidene-4,5,8,9-tetrahydrothieno[3,2-c][1,5]benzodiazepin-10-ium
Traditional Name:2-ethyl-7-nitro-10-thioxo-4,5,8,9-tetrahydrothieno[3,2-c][1,5]benzodiazepin-10-ium
Formula: C13H14N3O2S2+
MolecularWeight: 308.39916
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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)[N+](=S)C3=C(C=C(CC3)[N+](=O)[O-])NC2


Isomeric SMILES

CCC1=CC2=C(S1)[N+](=S)C3=C(C=C(CC3)[N+](=O)[O-])NC2


InChI

InChI=1S/C13H14N3O2S2/c1-2-10-5-8-7-14-11-6-9(16(17)18)3-4-12(11)15(19)13(8)20-10/h5-6,14H,2-4,7H2,1H3/q+1


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