(E)-N'-azanyl-N-(2,6-dimethylphenyl)sulfanyl-N-methyl-3-(3-phenethyloxypyridin-2-yl)prop-2-enimidamide

Systemtic Name: (E)-N'-azanyl-N-(2,6-dimethylphenyl)sulfanyl-N-methyl-3-(3-phenethyloxypyridin-2-yl)prop-2-enimidamide Openeye Name: (E)-N'-amino-N-(2,6-dimethylphenyl)sulfanyl-N-methyl-3-(3-phenethyloxy-2-pyridyl)prop-2-enamidine CAS Name: (E)-N'-amino-N-[(2,6-dimethylphenyl)thio]-N-methyl-3-(3-phenethyloxy-2-pyridinyl)-2-propenimidamide IUPAC Name: (E)-N'-amino-N-(2,6-dimethylphenyl)sulfanyl-N-methyl-3-(3-phenethyloxypyridin-2-yl)prop-2-enimidamide Traditional Name: (E)-N'-amino-N-[(2,6-dimethylphenyl)thio]-N-methyl-3-(3-phenethyloxy-2-pyridyl)acrylamidine Formula: C25H28N4OS MolecularWeight: 432.58102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)SN(C)C(=NN)C=CC2=C(C=CC=N2)OCCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=CC=C1)C)SN(C)/C(=N/N)/C=C/C2=C(C=CC=N2)OCCC3=CC=CC=C3

InChI

InChI=1S/C25H28N4OS/c1-19-9-7-10-20(2)25(19)31-29(3)24(28-26)15-14-22-23(13-8-17-27-22)30-18-16-21-11-5-4-6-12-21/h4-15,17H,16,18,26H2,1-3H3/b15-14+,28-24+