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

Systemtic Name: 4-[(1-imidazol-1-yl-4-thiophen-2-yl-butan-2-yl)sulfanylmethyl]aniline Openeye Name: 4-[[1-(imidazol-1-ylmethyl)-3-(2-thienyl)propyl]sulfanylmethyl]aniline CAS Name: 4-[[[1-(1-imidazolyl)-4-thiophen-2-ylbutan-2-yl]thio]methyl]aniline IUPAC Name: 4-[(1-imidazol-1-yl-4-thiophen-2-ylbutan-2-yl)sulfanylmethyl]aniline Traditional Name: [4-[[[1-(imidazol-1-ylmethyl)-3-(2-thienyl)propyl]thio]methyl]phenyl]amine Formula: C18H21N3S2 MolecularWeight: 343.50944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3S2/c19-16-5-3-15(4-6-16)13-23-18(12-21-10-9-20-14-21)8-7-17-2-1-11-22-17/h1-6,9-11,14,18H,7-8,12-13,19H2