2-(4-isothiocyanato-2-methyl-phenyl)-1-(2-methylphenyl)guanidine hydrochloride

Systemtic Name: 2-(4-isothiocyanato-2-methyl-phenyl)-1-(2-methylphenyl)guanidine hydrochloride Openeye Name: 2-(4-isothiocyanato-2-methyl-phenyl)-1-(o-tolyl)guanidine hydrochloride CAS Name: 2-(4-isothiocyanato-2-methylphenyl)-1-(2-methylphenyl)guanidine hydrochloride IUPAC Name: 2-(4-isothiocyanato-2-methylphenyl)-1-(2-methylphenyl)guanidine hydrochloride Traditional Name: 2-(4-isothiocyanato-2-methyl-phenyl)-1-(o-tolyl)guanidine hydrochloride Formula: C16H17ClN4S MolecularWeight: 332.85098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=NC2=C(C=C(C=C2)N=C=S)C)N.Cl

Isomeric SMILES

CC1=CC=CC=C1NC(=NC2=C(C=C(C=C2)N=C=S)C)N.Cl

InChI

InChI=1S/C16H16N4S.ClH/c1-11-5-3-4-6-14(11)19-16(17)20-15-8-7-13(18-10-21)9-12(15)2;/h3-9H,1-2H3,(H3,17,19,20);1H