2-isothiocyanato-1,1-bis(4-methylphenyl)guanidine

Systemtic Name: 2-isothiocyanato-1,1-bis(4-methylphenyl)guanidine Openeye Name: 2-isothiocyanato-1,1-bis(p-tolyl)guanidine CAS Name: 2-isothiocyanato-1,1-bis(4-methylphenyl)guanidine IUPAC Name: 2-isothiocyanato-1,1-bis(4-methylphenyl)guanidine Traditional Name: 2-isothiocyanato-1,1-bis(p-tolyl)guanidine Formula: C16H16N4S MolecularWeight: 296.39004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(C2=CC=C(C=C2)C)C(=NN=C=S)N

Isomeric SMILES

CC1=CC=C(C=C1)N(C2=CC=C(C=C2)C)/C(=N\N=C=S)/N

InChI

InChI=1S/C16H16N4S/c1-12-3-7-14(8-4-12)20(16(17)19-18-11-21)15-9-5-13(2)6-10-15/h3-10H,1-2H3,(H2,17,19)