4-(2,4-dichlorophenyl)-3-(phenothiazin-10-ylmethyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(2,4-dichlorophenyl)-3-(phenothiazin-10-ylmethyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-(2,4-dichlorophenyl)-3-(phenothiazin-10-ylmethyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(2,4-dichlorophenyl)-3-(10-phenothiazinylmethyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(2,4-dichlorophenyl)-3-(phenothiazin-10-ylmethyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-(2,4-dichlorophenyl)-3-(phenothiazin-10-ylmethyl)-1H-1,2,4-triazole-5-thione Formula: C21H14Cl2N4S2 MolecularWeight: 457.39866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)CC4=NNC(=S)N4C5=C(C=C(C=C5)Cl)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)CC4=NNC(=S)N4C5=C(C=C(C=C5)Cl)Cl

InChI

InChI=1S/C21H14Cl2N4S2/c22-13-9-10-15(14(23)11-13)27-20(24-25-21(27)28)12-26-16-5-1-3-7-18(16)29-19-8-4-2-6-17(19)26/h1-11H,12H2,(H,25,28)