2-[(4-chlorophenyl)methylsulfanyl]-4,4,7,7-tetramethyl-5,6-dihydro-1H-1,3-diazepine

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-4,4,7,7-tetramethyl-5,6-dihydro-1H-1,3-diazepine Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-4,4,7,7-tetramethyl-5,6-dihydro-1H-1,3-diazepine CAS Name: 2-[(4-chlorophenyl)methylthio]-4,4,7,7-tetramethyl-5,6-dihydro-1H-1,3-diazepine IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-4,4,7,7-tetramethyl-5,6-dihydro-1H-1,3-diazepine Traditional Name: 2-[(4-chlorobenzyl)thio]-4,4,7,7-tetramethyl-5,6-dihydro-1H-1,3-diazepine Formula: C16H23ClN2S MolecularWeight: 310.88522

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(N=C(N1)SCC2=CC=C(C=C2)Cl)(C)C)C

Isomeric SMILES

CC1(CCC(N=C(N1)SCC2=CC=C(C=C2)Cl)(C)C)C

InChI

InChI=1S/C16H23ClN2S/c1-15(2)9-10-16(3,4)19-14(18-15)20-11-12-5-7-13(17)8-6-12/h5-8H,9-11H2,1-4H3,(H,18,19)