5-(4-chlorophenyl)-3-(triphenylmethyl)sulfanyl-1H-1,2,4-triazole

Systemtic Name: 5-(4-chlorophenyl)-3-(triphenylmethyl)sulfanyl-1H-1,2,4-triazole Openeye Name: 5-(4-chlorophenyl)-3-tritylsulfanyl-1H-1,2,4-triazole CAS Name: 5-(4-chlorophenyl)-3-[(triphenylmethyl)thio]-1H-1,2,4-triazole IUPAC Name: 5-(4-chlorophenyl)-3-tritylsulfanyl-1H-1,2,4-triazole Traditional Name: 5-(4-chlorophenyl)-3-(tritylthio)-1H-1,2,4-triazole Formula: C27H20ClN3S MolecularWeight: 453.9858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC4=NNC(=N4)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC4=NNC(=N4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C27H20ClN3S/c28-24-18-16-20(17-19-24)25-29-26(31-30-25)32-27(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-19H,(H,29,30,31)