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

Systemtic Name: 6-(2-methyl-1,2,3,4-tetrazol-5-yl)-10,10-bis(oxidanylidene)-2-propoxy-thioxanthen-9-one Openeye Name: 6-(2-methyltetrazol-5-yl)-10,10-dioxo-2-propoxy-thioxanthen-9-one CAS Name: 6-(2-methyl-5-tetrazolyl)-10,10-dioxo-2-propoxy-9-thioxanthenone IUPAC Name: 6-(2-methyltetrazol-5-yl)-10,10-dioxo-2-propoxythioxanthen-9-one Traditional Name: 10,10-diketo-6-(2-methyltetrazol-5-yl)-2-propoxy-thioxanthen-9-one Formula: C18H16N4O4S MolecularWeight: 384.40904

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC2=C(C=C1)S(=O)(=O)C3=C(C2=O)C=CC(=C3)C4=NN(N=N4)C

Isomeric SMILES

CCCOC1=CC2=C(C=C1)S(=O)(=O)C3=C(C2=O)C=CC(=C3)C4=NN(N=N4)C

InChI

InChI=1S/C18H16N4O4S/c1-3-8-26-12-5-7-15-14(10-12)17(23)13-6-4-11(9-16(13)27(15,24)25)18-19-21-22(2)20-18/h4-7,9-10H,3,8H2,1-2H3