diethyl-[2-[2-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-ium-3-ylidene)-3H-benzimidazol-1-yl]ethyl]azanium

Systemtic Name: diethyl-[2-[2-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-ium-3-ylidene)-3H-benzimidazol-1-yl]ethyl]azanium Openeye Name: diethyl-[2-[2-(4-oxo-2-thioxo-1H-quinazolin-3-ium-3-ylidene)-3H-benzimidazol-1-yl]ethyl]ammonium CAS Name: diethyl-[2-[2-(4-oxo-2-sulfanylidene-1H-quinazolin-3-ium-3-ylidene)-3H-benzimidazol-1-yl]ethyl]ammonium IUPAC Name: diethyl-[2-[2-(4-oxo-2-sulfanylidene-1H-quinazolin-3-ium-3-ylidene)-3H-benzimidazol-1-yl]ethyl]azanium Traditional Name: diethyl-[2-[2-(4-keto-2-thioxo-1H-quinazolin-3-ium-3-ylidene)-3H-benzimidazol-1-yl]ethyl]ammonium Formula: C21H25N5OS+2 MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C2=CC=CC=C2NC1=[N+]3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

CC[NH+](CC)CCN1C2=CC=CC=C2NC1=[N+]3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C21H23N5OS/c1-3-24(4-2)13-14-25-18-12-8-7-11-17(18)22-20(25)26-19(27)15-9-5-6-10-16(15)23-21(26)28/h5-12H,3-4,13-14H2,1-2H3,(H,23,27,28)/p+2