2-(2-imidazol-1-ylethylsulfanyl)-5-methyl-aniline

Systemtic Name: 2-(2-imidazol-1-ylethylsulfanyl)-5-methyl-aniline Openeye Name: 2-(2-imidazol-1-ylethylsulfanyl)-5-methyl-aniline CAS Name: 2-[2-(1-imidazolyl)ethylthio]-5-methylaniline IUPAC Name: 2-(2-imidazol-1-ylethylsulfanyl)-5-methylaniline Traditional Name: [2-(2-imidazol-1-ylethylthio)-5-methyl-phenyl]amine Formula: C12H15N3S MolecularWeight: 233.3326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCCN2C=CN=C2)N

Isomeric SMILES

CC1=CC(=C(C=C1)SCCN2C=CN=C2)N

InChI

InChI=1S/C12H15N3S/c1-10-2-3-12(11(13)8-10)16-7-6-15-5-4-14-9-15/h2-5,8-9H,6-7,13H2,1H3