N-(5-chloranyl-2-methyl-phenyl)thian-4-amine

Systemtic Name: N-(5-chloranyl-2-methyl-phenyl)thian-4-amine Openeye Name: N-(5-chloro-2-methyl-phenyl)tetrahydrothiopyran-4-amine CAS Name: N-(5-chloro-2-methylphenyl)-4-thianamine IUPAC Name: N-(5-chloro-2-methylphenyl)thian-4-amine Traditional Name: (5-chloro-2-methyl-phenyl)-tetrahydrothiopyran-4-yl-amine Formula: C12H16ClNS MolecularWeight: 241.78014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC2CCSCC2

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC2CCSCC2

InChI

InChI=1S/C12H16ClNS/c1-9-2-3-10(13)8-12(9)14-11-4-6-15-7-5-11/h2-3,8,11,14H,4-7H2,1H3