6-(2-ethanoyl-1,2,3,4-tetrazol-5-yl)-2-methoxy-10,10-bis(oxidanylidene)thioxanthen-9-one

Systemtic Name: 6-(2-ethanoyl-1,2,3,4-tetrazol-5-yl)-2-methoxy-10,10-bis(oxidanylidene)thioxanthen-9-one Openeye Name: 6-(2-acetyltetrazol-5-yl)-2-methoxy-10,10-dioxo-thioxanthen-9-one CAS Name: 6-(2-acetyl-5-tetrazolyl)-2-methoxy-10,10-dioxo-9-thioxanthenone IUPAC Name: 6-(2-acetyltetrazol-5-yl)-2-methoxy-10,10-dioxothioxanthen-9-one Traditional Name: 6-(2-acetyltetrazol-5-yl)-10,10-diketo-2-methoxy-thioxanthen-9-one Formula: C17H12N4O5S MolecularWeight: 384.36598

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1N=C(N=N1)C2=CC3=C(C=C2)C(=O)C4=C(S3(=O)=O)C=CC(=C4)OC

Isomeric SMILES

CC(=O)N1N=C(N=N1)C2=CC3=C(C=C2)C(=O)C4=C(S3(=O)=O)C=CC(=C4)OC

InChI

InChI=1S/C17H12N4O5S/c1-9(22)21-19-17(18-20-21)10-3-5-12-15(7-10)27(24,25)14-6-4-11(26-2)8-13(14)16(12)23/h3-8H,1-2H3