2-[3-[(3-chlorophenyl)methylsulfanyl]-5-phenyl-1,2,4-triazol-1-yl]-1,3-benzothiazole

Systemtic Name: 2-[3-[(3-chlorophenyl)methylsulfanyl]-5-phenyl-1,2,4-triazol-1-yl]-1,3-benzothiazole Openeye Name: 2-[3-[(3-chlorophenyl)methylsulfanyl]-5-phenyl-1,2,4-triazol-1-yl]-1,3-benzothiazole CAS Name: 2-[3-[(3-chlorophenyl)methylthio]-5-phenyl-1,2,4-triazol-1-yl]-1,3-benzothiazole IUPAC Name: 2-[3-[(3-chlorophenyl)methylsulfanyl]-5-phenyl-1,2,4-triazol-1-yl]-1,3-benzothiazole Traditional Name: 2-[3-[(3-chlorobenzyl)thio]-5-phenyl-1,2,4-triazol-1-yl]-1,3-benzothiazole Formula: C22H15ClN4S2 MolecularWeight: 434.9643

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NN2C3=NC4=CC=CC=C4S3)SCC5=CC(=CC=C5)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NN2C3=NC4=CC=CC=C4S3)SCC5=CC(=CC=C5)Cl

InChI

InChI=1S/C22H15ClN4S2/c23-17-10-6-7-15(13-17)14-28-21-25-20(16-8-2-1-3-9-16)27(26-21)22-24-18-11-4-5-12-19(18)29-22/h1-13H,14H2