4-[2-[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl]-1,2,3,4-tetrazol-5-yl]benzamide

Systemtic Name: 4-[2-[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl]-1,2,3,4-tetrazol-5-yl]benzamide Openeye Name: 4-[2-[2-oxo-2-(3-phenylsulfanylpropylamino)ethyl]tetrazol-5-yl]benzamide CAS Name: 4-[2-[2-oxo-2-[3-(phenylthio)propylamino]ethyl]-5-tetrazolyl]benzamide IUPAC Name: 4-[2-[2-oxo-2-(3-phenylsulfanylpropylamino)ethyl]tetrazol-5-yl]benzamide Traditional Name: 4-[2-[2-keto-2-[3-(phenylthio)propylamino]ethyl]tetrazol-5-yl]benzamide Formula: C19H20N6O2S MolecularWeight: 396.4661

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCCNC(=O)CN2N=C(N=N2)C3=CC=C(C=C3)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)SCCCNC(=O)CN2N=C(N=N2)C3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C19H20N6O2S/c20-18(27)14-7-9-15(10-8-14)19-22-24-25(23-19)13-17(26)21-11-4-12-28-16-5-2-1-3-6-16/h1-3,5-10H,4,11-13H2,(H2,20,27)(H,21,26)