4-[4-(2,5-dimethylpyrrol-1-yl)phenyl]sulfanylaniline

Systemtic Name: 4-[4-(2,5-dimethylpyrrol-1-yl)phenyl]sulfanylaniline Openeye Name: 4-[4-(2,5-dimethylpyrrol-1-yl)phenyl]sulfanylaniline CAS Name: 4-[[4-(2,5-dimethyl-1-pyrrolyl)phenyl]thio]aniline IUPAC Name: 4-[4-(2,5-dimethylpyrrol-1-yl)phenyl]sulfanylaniline Traditional Name: [4-[[4-(2,5-dimethylpyrrol-1-yl)phenyl]thio]phenyl]amine Formula: C18H18N2S MolecularWeight: 294.41392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)SC3=CC=C(C=C3)N)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)SC3=CC=C(C=C3)N)C

InChI

InChI=1S/C18H18N2S/c1-13-3-4-14(2)20(13)16-7-11-18(12-8-16)21-17-9-5-15(19)6-10-17/h3-12H,19H2,1-2H3