3-(3-chlorophenyl)-4-(4-chlorophenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazole

Systemtic Name: 3-(3-chlorophenyl)-4-(4-chlorophenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-5-(3-chlorophenyl)-4-(4-chlorophenyl)-1,2,4-triazole CAS Name: 3-(3-chlorophenyl)-4-(4-chlorophenyl)-5-(phenylmethylthio)-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-5-(3-chlorophenyl)-4-(4-chlorophenyl)-1,2,4-triazole Traditional Name: 3-(benzylthio)-5-(3-chlorophenyl)-4-(4-chlorophenyl)-1,2,4-triazole Formula: C21H15Cl2N3S MolecularWeight: 412.3349

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H15Cl2N3S/c22-17-9-11-19(12-10-17)26-20(16-7-4-8-18(23)13-16)24-25-21(26)27-14-15-5-2-1-3-6-15/h1-13H,14H2