4-[[1-imidazol-1-yl-4-(4-methoxyphenyl)butan-2-yl]sulfanylmethyl]aniline

Systemtic Name: 4-[[1-imidazol-1-yl-4-(4-methoxyphenyl)butan-2-yl]sulfanylmethyl]aniline Openeye Name: 4-[[1-(imidazol-1-ylmethyl)-3-(4-methoxyphenyl)propyl]sulfanylmethyl]aniline CAS Name: 4-[[[1-(1-imidazolyl)-4-(4-methoxyphenyl)butan-2-yl]thio]methyl]aniline IUPAC Name: 4-[[1-imidazol-1-yl-4-(4-methoxyphenyl)butan-2-yl]sulfanylmethyl]aniline Traditional Name: [4-[[[1-(imidazol-1-ylmethyl)-3-(4-methoxyphenyl)propyl]thio]methyl]phenyl]amine Formula: C21H25N3OS MolecularWeight: 367.5077

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC(CN2C=CN=C2)SCC3=CC=C(C=C3)N

Isomeric SMILES

COC1=CC=C(C=C1)CCC(CN2C=CN=C2)SCC3=CC=C(C=C3)N

InChI

InChI=1S/C21H25N3OS/c1-25-20-9-4-17(5-10-20)6-11-21(14-24-13-12-23-16-24)26-15-18-2-7-19(22)8-3-18/h2-5,7-10,12-13,16,21H,6,11,14-15,22H2,1H3