N-(7-chloranyl-9-oxidanylidene-thioxanthen-2-yl)-4-methoxy-3-(1,2,3,4-tetrazol-1-yl)benzenesulfonamide

Systemtic Name: N-(7-chloranyl-9-oxidanylidene-thioxanthen-2-yl)-4-methoxy-3-(1,2,3,4-tetrazol-1-yl)benzenesulfonamide Openeye Name: N-(7-chloro-9-oxo-thioxanthen-2-yl)-4-methoxy-3-(tetrazol-1-yl)benzenesulfonamide CAS Name: N-(7-chloro-9-oxo-2-thioxanthenyl)-4-methoxy-3-(1-tetrazolyl)benzenesulfonamide IUPAC Name: N-(7-chloro-9-oxothioxanthen-2-yl)-4-methoxy-3-(tetrazol-1-yl)benzenesulfonamide Traditional Name: N-(7-chloro-9-keto-thioxanthen-2-yl)-4-methoxy-3-(tetrazol-1-yl)benzenesulfonamide Formula: C21H14ClN5O4S2 MolecularWeight: 499.94996

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)SC4=C(C3=O)C=C(C=C4)Cl)N5C=NN=N5

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)SC4=C(C3=O)C=C(C=C4)Cl)N5C=NN=N5

InChI

InChI=1S/C21H14ClN5O4S2/c1-31-18-5-4-14(10-17(18)27-11-23-25-26-27)33(29,30)24-13-3-7-20-16(9-13)21(28)15-8-12(22)2-6-19(15)32-20/h2-11,24H,1H3