N-(3-chloranyl-4-methyl-phenyl)thian-4-amine

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)thian-4-amine Openeye Name: N-(3-chloro-4-methyl-phenyl)tetrahydrothiopyran-4-amine CAS Name: N-(3-chloro-4-methylphenyl)-4-thianamine IUPAC Name: N-(3-chloro-4-methylphenyl)thian-4-amine Traditional Name: (3-chloro-4-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)NC2CCSCC2)Cl

Isomeric SMILES

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

InChI

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