3-methyl-4-[(4-pyrazol-1-ylphenyl)methylsulfanyl]aniline

Systemtic Name: 3-methyl-4-[(4-pyrazol-1-ylphenyl)methylsulfanyl]aniline Openeye Name: 3-methyl-4-[(4-pyrazol-1-ylphenyl)methylsulfanyl]aniline CAS Name: 3-methyl-4-[[4-(1-pyrazolyl)phenyl]methylthio]aniline IUPAC Name: 3-methyl-4-[(4-pyrazol-1-ylphenyl)methylsulfanyl]aniline Traditional Name: [3-methyl-4-[(4-pyrazol-1-ylbenzyl)thio]phenyl]amine Formula: C17H17N3S MolecularWeight: 295.40198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N)SCC2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

CC1=C(C=CC(=C1)N)SCC2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C17H17N3S/c1-13-11-15(18)5-8-17(13)21-12-14-3-6-16(7-4-14)20-10-2-9-19-20/h2-11H,12,18H2,1H3