3,4-dimethoxy-N-[4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]phenyl]benzamide

Systemtic Name: 3,4-dimethoxy-N-[4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]phenyl]benzamide Openeye Name: 3,4-dimethoxy-N-[4-[(1-phenyltetrazol-5-yl)methylsulfanyl]phenyl]benzamide CAS Name: 3,4-dimethoxy-N-[4-[(1-phenyl-5-tetrazolyl)methylthio]phenyl]benzamide IUPAC Name: 3,4-dimethoxy-N-[4-[(1-phenyltetrazol-5-yl)methylsulfanyl]phenyl]benzamide Traditional Name: 3,4-dimethoxy-N-[4-[(1-phenyltetrazol-5-yl)methylthio]phenyl]benzamide Formula: C23H21N5O3S MolecularWeight: 447.50954

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)SCC3=NN=NN3C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)SCC3=NN=NN3C4=CC=CC=C4)OC

InChI

InChI=1S/C23H21N5O3S/c1-30-20-13-8-16(14-21(20)31-2)23(29)24-17-9-11-19(12-10-17)32-15-22-25-26-27-28(22)18-6-4-3-5-7-18/h3-14H,15H2,1-2H3,(H,24,29)