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

Systemtic Name: 4-(benzotriazol-1-ylmethyl)-N-[3-(5-methylsulfanyl-1,2,3,4-tetrazol-1-yl)phenyl]benzamide Openeye Name: 4-(benzotriazol-1-ylmethyl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide CAS Name: 4-(1-benzotriazolylmethyl)-N-[3-[5-(methylthio)-1-tetrazolyl]phenyl]benzamide IUPAC Name: 4-(benzotriazol-1-ylmethyl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide Traditional Name: 4-(benzotriazol-1-ylmethyl)-N-[3-[5-(methylthio)tetrazol-1-yl]phenyl]benzamide Formula: C22H18N8OS MolecularWeight: 442.49632

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=NN1C2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)CN4C5=CC=CC=C5N=N4

Isomeric SMILES

CSC1=NN=NN1C2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C22H18N8OS/c1-32-22-25-26-28-30(22)18-6-4-5-17(13-18)23-21(31)16-11-9-15(10-12-16)14-29-20-8-3-2-7-19(20)24-27-29/h2-13H,14H2,1H3,(H,23,31)