4-[3-(1-imidazol-1-yl-4-thiophen-2-yl-butan-2-yl)sulfanylpropyl]aniline

Systemtic Name: 4-[3-(1-imidazol-1-yl-4-thiophen-2-yl-butan-2-yl)sulfanylpropyl]aniline Openeye Name: 4-[3-[1-(imidazol-1-ylmethyl)-3-(2-thienyl)propyl]sulfanylpropyl]aniline CAS Name: 4-[3-[[1-(1-imidazolyl)-4-thiophen-2-ylbutan-2-yl]thio]propyl]aniline IUPAC Name: 4-[3-(1-imidazol-1-yl-4-thiophen-2-ylbutan-2-yl)sulfanylpropyl]aniline Traditional Name: [4-[3-[[1-(imidazol-1-ylmethyl)-3-(2-thienyl)propyl]thio]propyl]phenyl]amine Formula: C20H25N3S2 MolecularWeight: 371.5626

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CCC(CN2C=CN=C2)SCCCC3=CC=C(C=C3)N

Isomeric SMILES

C1=CSC(=C1)CCC(CN2C=CN=C2)SCCCC3=CC=C(C=C3)N

InChI

InChI=1S/C20H25N3S2/c21-18-7-5-17(6-8-18)3-1-13-25-20(15-23-12-11-22-16-23)10-9-19-4-2-14-24-19/h2,4-8,11-12,14,16,20H,1,3,9-10,13,15,21H2