N-[(2,4-dimethylphenyl)methyl]phenoxathiin-3-amine

Systemtic Name: N-[(2,4-dimethylphenyl)methyl]phenoxathiin-3-amine Openeye Name: N-[(2,4-dimethylphenyl)methyl]phenoxathiin-3-amine CAS Name: N-[(2,4-dimethylphenyl)methyl]-3-phenoxathiinamine IUPAC Name: N-[(2,4-dimethylphenyl)methyl]phenoxathiin-3-amine Traditional Name: (2,4-dimethylbenzyl)-phenoxathiin-3-yl-amine Formula: C21H19NOS MolecularWeight: 333.44666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CNC2=CC3=C(C=C2)SC4=CC=CC=C4O3)C

Isomeric SMILES

CC1=CC(=C(C=C1)CNC2=CC3=C(C=C2)SC4=CC=CC=C4O3)C

InChI

InChI=1S/C21H19NOS/c1-14-7-8-16(15(2)11-14)13-22-17-9-10-21-19(12-17)23-18-5-3-4-6-20(18)24-21/h3-12,22H,13H2,1-2H3