3-[(4-fluorophenyl)methylsulfanyl]-5,5,7-trimethyl-2,6-dihydro-1,2,4-triazepine

Systemtic Name: 3-[(4-fluorophenyl)methylsulfanyl]-5,5,7-trimethyl-2,6-dihydro-1,2,4-triazepine Openeye Name: 3-[(4-fluorophenyl)methylsulfanyl]-5,5,7-trimethyl-2,6-dihydro-1,2,4-triazepine CAS Name: 3-[(4-fluorophenyl)methylthio]-5,5,7-trimethyl-2,6-dihydro-1,2,4-triazepine IUPAC Name: 3-[(4-fluorophenyl)methylsulfanyl]-5,5,7-trimethyl-2,6-dihydro-1,2,4-triazepine Traditional Name: 3-[(4-fluorobenzyl)thio]-5,5,7-trimethyl-2,6-dihydro-1,2,4-triazepine Formula: C14H18FN3S MolecularWeight: 279.376223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=NC(C1)(C)C)SCC2=CC=C(C=C2)F

Isomeric SMILES

CC1=NNC(=NC(C1)(C)C)SCC2=CC=C(C=C2)F

InChI

InChI=1S/C14H18FN3S/c1-10-8-14(2,3)16-13(18-17-10)19-9-11-4-6-12(15)7-5-11/h4-7H,8-9H2,1-3H3,(H,16,18)