2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-butyl-aniline

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-butyl-aniline Openeye Name: 2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-butyl-aniline CAS Name: 2-[(1H-benzimidazol-2-ylthio)methyl]-4-butylaniline IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-butylaniline Traditional Name: [2-[(1H-benzimidazol-2-ylthio)methyl]-4-butyl-phenyl]amine Formula: C18H21N3S MolecularWeight: 311.44444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)N)CSC2=NC3=CC=CC=C3N2

Isomeric SMILES

CCCCC1=CC(=C(C=C1)N)CSC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C18H21N3S/c1-2-3-6-13-9-10-15(19)14(11-13)12-22-18-20-16-7-4-5-8-17(16)21-18/h4-5,7-11H,2-3,6,12,19H2,1H3,(H,20,21)