ethyl N'-(1,3-dimethylpyrazol-4-yl)-N,N-bis(phenylmethyl)carbamimidothioate

Systemtic Name: ethyl N'-(1,3-dimethylpyrazol-4-yl)-N,N-bis(phenylmethyl)carbamimidothioate Openeye Name: 1,1-dibenzyl-3-(1,3-dimethylpyrazol-4-yl)-2-ethyl-isothiourea CAS Name: N'-(1,3-dimethyl-4-pyrazolyl)-N,N-bis(phenylmethyl)carbamimidothioic acid ethyl ester IUPAC Name: ethyl N,N-dibenzyl-N'-(1,3-dimethylpyrazol-4-yl)carbamimidothioate Traditional Name: 1,1-dibenzyl-3-(1,3-dimethylpyrazol-4-yl)-2-ethyl-isothiourea Formula: C22H26N4S MolecularWeight: 378.53364

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=NC1=CN(N=C1C)C)N(CC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CCSC(=NC1=CN(N=C1C)C)N(CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C22H26N4S/c1-4-27-22(23-21-17-25(3)24-18(21)2)26(15-19-11-7-5-8-12-19)16-20-13-9-6-10-14-20/h5-14,17H,4,15-16H2,1-3H3