4-[1-imidazol-1-yl-4-(5-methylfuran-2-yl)butan-2-yl]sulfanylaniline

Systemtic Name: 4-[1-imidazol-1-yl-4-(5-methylfuran-2-yl)butan-2-yl]sulfanylaniline Openeye Name: 4-[1-(imidazol-1-ylmethyl)-3-(5-methyl-2-furyl)propyl]sulfanylaniline CAS Name: 4-[[1-(1-imidazolyl)-4-(5-methyl-2-furanyl)butan-2-yl]thio]aniline IUPAC Name: 4-[1-imidazol-1-yl-4-(5-methylfuran-2-yl)butan-2-yl]sulfanylaniline Traditional Name: [4-[[1-(imidazol-1-ylmethyl)-3-(5-methyl-2-furyl)propyl]thio]phenyl]amine Formula: C18H21N3OS MolecularWeight: 327.44384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)CCC(CN2C=CN=C2)SC3=CC=C(C=C3)N

Isomeric SMILES

CC1=CC=C(O1)CCC(CN2C=CN=C2)SC3=CC=C(C=C3)N

InChI

InChI=1S/C18H21N3OS/c1-14-2-5-16(22-14)6-9-18(12-21-11-10-20-13-21)23-17-7-3-15(19)4-8-17/h2-5,7-8,10-11,13,18H,6,9,12,19H2,1H3