3-methyl-4-(2-methylpropylsulfanyl)aniline

Systemtic Name: 3-methyl-4-(2-methylpropylsulfanyl)aniline Openeye Name: 4-isobutylsulfanyl-3-methyl-aniline CAS Name: 3-methyl-4-(2-methylpropylthio)aniline IUPAC Name: 3-methyl-4-(2-methylpropylsulfanyl)aniline Traditional Name: [4-(isobutylthio)-3-methyl-phenyl]amine Formula: C11H17NS MolecularWeight: 195.32438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N)SCC(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)N)SCC(C)C

InChI

InChI=1S/C11H17NS/c1-8(2)7-13-11-5-4-10(12)6-9(11)3/h4-6,8H,7,12H2,1-3H3