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

Systemtic Name: 4-(1-imidazol-1-yl-4-phenyl-butan-2-yl)sulfanylaniline Openeye Name: 4-[1-(imidazol-1-ylmethyl)-3-phenyl-propyl]sulfanylaniline CAS Name: 4-[[1-(1-imidazolyl)-4-phenylbutan-2-yl]thio]aniline IUPAC Name: 4-(1-imidazol-1-yl-4-phenylbutan-2-yl)sulfanylaniline Traditional Name: [4-[[1-(imidazol-1-ylmethyl)-3-phenyl-propyl]thio]phenyl]amine Formula: C19H21N3S MolecularWeight: 323.45514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3S/c20-17-7-10-18(11-8-17)23-19(14-22-13-12-21-15-22)9-6-16-4-2-1-3-5-16/h1-5,7-8,10-13,15,19H,6,9,14,20H2