2-(8-methylsulfonyl-4-phenyl-phthalazin-1-yl)guanidine hydrochloride

Systemtic Name: 2-(8-methylsulfonyl-4-phenyl-phthalazin-1-yl)guanidine hydrochloride Openeye Name: 2-(8-methylsulfonyl-4-phenyl-phthalazin-1-yl)guanidine hydrochloride CAS Name: 2-(8-methylsulfonyl-4-phenyl-1-phthalazinyl)guanidine hydrochloride IUPAC Name: 2-(8-methylsulfonyl-4-phenylphthalazin-1-yl)guanidine hydrochloride Traditional Name: 2-(8-mesyl-4-phenyl-phthalazin-1-yl)guanidine hydrochloride Formula: C16H16ClN5O2S MolecularWeight: 377.84854

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC2=C1C(=NN=C2C3=CC=CC=C3)N=C(N)N.Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=CC2=C1C(=NN=C2C3=CC=CC=C3)N=C(N)N.Cl

InChI

InChI=1S/C16H15N5O2S.ClH/c1-24(22,23)12-9-5-8-11-13(12)15(19-16(17)18)21-20-14(11)10-6-3-2-4-7-10;/h2-9H,1H3,(H4,17,18,19,21);1H