2-[[4-(3-methylphenyl)-6-[(2-sulfanylethylamino)methyl]pyridin-2-yl]methylamino]ethanethiol

Systemtic Name: 2-[[4-(3-methylphenyl)-6-[(2-sulfanylethylamino)methyl]pyridin-2-yl]methylamino]ethanethiol Openeye Name: 2-[[4-(m-tolyl)-6-[(2-sulfanylethylamino)methyl]-2-pyridyl]methylamino]ethanethiol CAS Name: 2-[[6-[(2-mercaptoethylamino)methyl]-4-(3-methylphenyl)-2-pyridinyl]methylamino]ethanethiol IUPAC Name: 2-[[4-(3-methylphenyl)-6-[(2-sulfanylethylamino)methyl]pyridin-2-yl]methylamino]ethanethiol Traditional Name: 2-[[6-[(2-mercaptoethylamino)methyl]-4-(m-tolyl)-2-pyridyl]methylamino]ethanethiol Formula: C18H25N3S2 MolecularWeight: 347.5412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=CC(=NC(=C2)CNCCS)CNCCS

Isomeric SMILES

CC1=CC=CC(=C1)C2=CC(=NC(=C2)CNCCS)CNCCS

InChI

InChI=1S/C18H25N3S2/c1-14-3-2-4-15(9-14)16-10-17(12-19-5-7-22)21-18(11-16)13-20-6-8-23/h2-4,9-11,19-20,22-23H,5-8,12-13H2,1H3