butan-1-amine; 1-[4-[1-(2,4-dichlorophenyl)-2-imidazol-1-yl-ethyl]sulfanylphenyl]ethanone

Systemtic Name: butan-1-amine; 1-[4-[1-(2,4-dichlorophenyl)-2-imidazol-1-yl-ethyl]sulfanylphenyl]ethanone Openeye Name: butan-1-amine; 1-[4-[1-(2,4-dichlorophenyl)-2-imidazol-1-yl-ethyl]sulfanylphenyl]ethanone CAS Name: 1-butanamine; 1-[4-[[1-(2,4-dichlorophenyl)-2-(1-imidazolyl)ethyl]thio]phenyl]ethanone IUPAC Name: butan-1-amine; 1-[4-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl]sulfanylphenyl]ethanone Traditional Name: butylamine; 1-[4-[[1-(2,4-dichlorophenyl)-2-imidazol-1-yl-ethyl]thio]phenyl]ethanone Formula: C23H27Cl2N3OS MolecularWeight: 464.45098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN.CC(=O)C1=CC=C(C=C1)SC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CCCCN.CC(=O)C1=CC=C(C=C1)SC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C19H16Cl2N2OS.C4H11N/c1-13(24)14-2-5-16(6-3-14)25-19(11-23-9-8-22-12-23)17-7-4-15(20)10-18(17)21;1-2-3-4-5/h2-10,12,19H,11H2,1H3;2-5H2,1H3