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

Systemtic Name: 10,10-bis(oxidanylidene)-3-(2-propanoyl-1,2,3,4-tetrazol-5-yl)thioxanthen-9-one Openeye Name: 10,10-dioxo-3-(2-propanoyltetrazol-5-yl)thioxanthen-9-one CAS Name: 10,10-dioxo-3-[2-(1-oxopropyl)-5-tetrazolyl]-9-thioxanthenone IUPAC Name: 10,10-dioxo-3-(2-propanoyltetrazol-5-yl)thioxanthen-9-one Traditional Name: 10,10-diketo-3-(2-propionyltetrazol-5-yl)thioxanthen-9-one Formula: C17H12N4O4S MolecularWeight: 368.36658

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1N=C(N=N1)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

CCC(=O)N1N=C(N=N1)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C17H12N4O4S/c1-2-15(22)21-19-17(18-20-21)10-7-8-12-14(9-10)26(24,25)13-6-4-3-5-11(13)16(12)23/h3-9H,2H2,1H3