4-(1-imidazol-1-yl-4-thiophen-2-yl-butan-2-yl)sulfanylaniline

Systemtic Name: 4-(1-imidazol-1-yl-4-thiophen-2-yl-butan-2-yl)sulfanylaniline Openeye Name: 4-[1-(imidazol-1-ylmethyl)-3-(2-thienyl)propyl]sulfanylaniline CAS Name: 4-[[1-(1-imidazolyl)-4-thiophen-2-ylbutan-2-yl]thio]aniline IUPAC Name: 4-(1-imidazol-1-yl-4-thiophen-2-ylbutan-2-yl)sulfanylaniline Traditional Name: [4-[[1-(imidazol-1-ylmethyl)-3-(2-thienyl)propyl]thio]phenyl]amine Formula: C17H19N3S2 MolecularWeight: 329.48286

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CCC(CN2C=CN=C2)SC3=CC=C(C=C3)N

Isomeric SMILES

C1=CSC(=C1)CCC(CN2C=CN=C2)SC3=CC=C(C=C3)N

InChI

InChI=1S/C17H19N3S2/c18-14-3-5-16(6-4-14)22-17(12-20-10-9-19-13-20)8-7-15-2-1-11-21-15/h1-6,9-11,13,17H,7-8,12,18H2