10-[[3-[(4-fluorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]methyl]phenothiazine

Systemtic Name: 10-[[3-[(4-fluorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]methyl]phenothiazine Openeye Name: 10-[[3-[(4-fluorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]methyl]phenothiazine CAS Name: 10-[[3-[(4-fluorophenyl)methylthio]-1H-1,2,4-triazol-5-yl]methyl]phenothiazine IUPAC Name: 10-[[3-[(4-fluorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]methyl]phenothiazine Traditional Name: 10-[[3-[(4-fluorobenzyl)thio]-1H-1,2,4-triazol-5-yl]methyl]phenothiazine Formula: C22H17FN4S2 MolecularWeight: 420.525583

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)CC4=NC(=NN4)SCC5=CC=C(C=C5)F

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)CC4=NC(=NN4)SCC5=CC=C(C=C5)F

InChI

InChI=1S/C22H17FN4S2/c23-16-11-9-15(10-12-16)14-28-22-24-21(25-26-22)13-27-17-5-1-3-7-19(17)29-20-8-4-2-6-18(20)27/h1-12H,13-14H2,(H,24,25,26)