2-[(4-imidazol-1-ylphenyl)methylsulfanyl]aniline

Systemtic Name: 2-[(4-imidazol-1-ylphenyl)methylsulfanyl]aniline Openeye Name: 2-[(4-imidazol-1-ylphenyl)methylsulfanyl]aniline CAS Name: 2-[[4-(1-imidazolyl)phenyl]methylthio]aniline IUPAC Name: 2-[(4-imidazol-1-ylphenyl)methylsulfanyl]aniline Traditional Name: [2-[(4-imidazol-1-ylbenzyl)thio]phenyl]amine Formula: C16H15N3S MolecularWeight: 281.3754

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N)SCC2=CC=C(C=C2)N3C=CN=C3

Isomeric SMILES

C1=CC=C(C(=C1)N)SCC2=CC=C(C=C2)N3C=CN=C3

InChI

InChI=1S/C16H15N3S/c17-15-3-1-2-4-16(15)20-11-13-5-7-14(8-6-13)19-10-9-18-12-19/h1-10,12H,11,17H2