N-(5-isothiocyanato-4-methyl-1,3-thiazol-2-yl)-N'-(phenylsulfonyl)benzenecarboximidamide

Systemtic Name: N-(5-isothiocyanato-4-methyl-1,3-thiazol-2-yl)-N'-(phenylsulfonyl)benzenecarboximidamide Openeye Name: N'-(benzenesulfonyl)-N-(5-isothiocyanato-4-methyl-thiazol-2-yl)benzamidine CAS Name: N'-(benzenesulfonyl)-N-(5-isothiocyanato-4-methyl-2-thiazolyl)benzenecarboximidamide IUPAC Name: N'-(benzenesulfonyl)-N-(5-isothiocyanato-4-methyl-1,3-thiazol-2-yl)benzenecarboximidamide Traditional Name: N'-besyl-N-(5-isothiocyanato-4-methyl-thiazol-2-yl)benzamidine Formula: C18H14N4O2S3 MolecularWeight: 414.52436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=NS(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3)N=C=S

Isomeric SMILES

CC1=C(SC(=N1)NC(=NS(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3)N=C=S

InChI

InChI=1S/C18H14N4O2S3/c1-13-17(19-12-25)26-18(20-13)21-16(14-8-4-2-5-9-14)22-27(23,24)15-10-6-3-7-11-15/h2-11H,1H3,(H,20,21,22)