2-[bis(phenylmethyl)azaniumyl]-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)ethanimidate

Systemtic Name: 2-[bis(phenylmethyl)azaniumyl]-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)ethanimidate Openeye Name: 2-(dibenzylammonio)-N-[5-(2-thienyl)-1,3,4-thiadiazol-2-yl]ethanimidate CAS Name: 2-[bis(phenylmethyl)ammonio]-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)ethanimidate IUPAC Name: 2-(dibenzylazaniumyl)-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)ethanimidate Traditional Name: 2-(dibenzylammonio)-N-[5-(2-thienyl)-1,3,4-thiadiazol-2-yl]acetimidate Formula: C22H20N4OS2 MolecularWeight: 420.5504

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[NH+](CC2=CC=CC=C2)CC(=NC3=NN=C(S3)C4=CC=CS4)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C[NH+](CC2=CC=CC=C2)CC(=NC3=NN=C(S3)C4=CC=CS4)[O-]

InChI

InChI=1S/C22H20N4OS2/c27-20(23-22-25-24-21(29-22)19-12-7-13-28-19)16-26(14-17-8-3-1-4-9-17)15-18-10-5-2-6-11-18/h1-13H,14-16H2,(H,23,25,27)