[4-(1,2,3,4-tetrazol-1-yl)phenyl] 2-(diphenylmethyl)sulfanylethanoate

Systemtic Name: [4-(1,2,3,4-tetrazol-1-yl)phenyl] 2-(diphenylmethyl)sulfanylethanoate Openeye Name: [4-(tetrazol-1-yl)phenyl] 2-benzhydrylsulfanylacetate CAS Name: 2-[(diphenylmethyl)thio]acetic acid [4-(1-tetrazolyl)phenyl] ester IUPAC Name: [4-(tetrazol-1-yl)phenyl] 2-benzhydrylsulfanylacetate Traditional Name: 2-(benzhydrylthio)acetic acid [4-(tetrazol-1-yl)phenyl] ester Formula: C22H18N4O2S MolecularWeight: 402.46892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)SCC(=O)OC3=CC=C(C=C3)N4C=NN=N4

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)SCC(=O)OC3=CC=C(C=C3)N4C=NN=N4

InChI

InChI=1S/C22H18N4O2S/c27-21(28-20-13-11-19(12-14-20)26-16-23-24-25-26)15-29-22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,16,22H,15H2