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

Systemtic Name: 4-[[1-imidazol-1-yl-4-(5-methylthiophen-2-yl)butan-2-yl]sulfanylmethyl]aniline Openeye Name: 4-[[1-(imidazol-1-ylmethyl)-3-(5-methyl-2-thienyl)propyl]sulfanylmethyl]aniline CAS Name: 4-[[[1-(1-imidazolyl)-4-(5-methyl-2-thiophenyl)butan-2-yl]thio]methyl]aniline IUPAC Name: 4-[[1-imidazol-1-yl-4-(5-methylthiophen-2-yl)butan-2-yl]sulfanylmethyl]aniline Traditional Name: [4-[[[1-(imidazol-1-ylmethyl)-3-(5-methyl-2-thienyl)propyl]thio]methyl]phenyl]amine Formula: C19H23N3S2 MolecularWeight: 357.53602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)CCC(CN2C=CN=C2)SCC3=CC=C(C=C3)N

Isomeric SMILES

CC1=CC=C(S1)CCC(CN2C=CN=C2)SCC3=CC=C(C=C3)N

InChI

InChI=1S/C19H23N3S2/c1-15-2-7-18(24-15)8-9-19(12-22-11-10-21-14-22)23-13-16-3-5-17(20)6-4-16/h2-7,10-11,14,19H,8-9,12-13,20H2,1H3