6-(2-ethanoyl-1,2,3,4-tetrazol-5-yl)-2-propoxy-thioxanthen-9-one

Systemtic Name: 6-(2-ethanoyl-1,2,3,4-tetrazol-5-yl)-2-propoxy-thioxanthen-9-one Openeye Name: 6-(2-acetyltetrazol-5-yl)-2-propoxy-thioxanthen-9-one CAS Name: 6-(2-acetyl-5-tetrazolyl)-2-propoxy-9-thioxanthenone IUPAC Name: 6-(2-acetyltetrazol-5-yl)-2-propoxythioxanthen-9-one Traditional Name: 6-(2-acetyltetrazol-5-yl)-2-propoxy-thioxanthen-9-one Formula: C19H16N4O3S MolecularWeight: 380.42034

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC2=C(C=C1)SC3=C(C2=O)C=CC(=C3)C4=NN(N=N4)C(=O)C

Isomeric SMILES

CCCOC1=CC2=C(C=C1)SC3=C(C2=O)C=CC(=C3)C4=NN(N=N4)C(=O)C

InChI

InChI=1S/C19H16N4O3S/c1-3-8-26-13-5-7-16-15(10-13)18(25)14-6-4-12(9-17(14)27-16)19-20-22-23(21-19)11(2)24/h4-7,9-10H,3,8H2,1-2H3