4-[3-[1-imidazol-1-yl-4-(5-methylthiophen-2-yl)butan-2-yl]sulfanylpropyl]aniline

Systemtic Name: 4-[3-[1-imidazol-1-yl-4-(5-methylthiophen-2-yl)butan-2-yl]sulfanylpropyl]aniline Openeye Name: 4-[3-[1-(imidazol-1-ylmethyl)-3-(5-methyl-2-thienyl)propyl]sulfanylpropyl]aniline CAS Name: 4-[3-[[1-(1-imidazolyl)-4-(5-methyl-2-thiophenyl)butan-2-yl]thio]propyl]aniline IUPAC Name: 4-[3-[1-imidazol-1-yl-4-(5-methylthiophen-2-yl)butan-2-yl]sulfanylpropyl]aniline Traditional Name: [4-[3-[[1-(imidazol-1-ylmethyl)-3-(5-methyl-2-thienyl)propyl]thio]propyl]phenyl]amine Formula: C21H27N3S2 MolecularWeight: 385.58918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)CCC(CN2C=CN=C2)SCCCC3=CC=C(C=C3)N

Isomeric SMILES

CC1=CC=C(S1)CCC(CN2C=CN=C2)SCCCC3=CC=C(C=C3)N

InChI

InChI=1S/C21H27N3S2/c1-17-4-9-20(26-17)10-11-21(15-24-13-12-23-16-24)25-14-2-3-18-5-7-19(22)8-6-18/h4-9,12-13,16,21H,2-3,10-11,14-15,22H2,1H3