3-(4-tert-butylphenyl)-4-(3-chloranyl-4-methoxy-phenyl)-5-(2-methylpropylsulfanyl)-1,2,4-triazole

Systemtic Name: 3-(4-tert-butylphenyl)-4-(3-chloranyl-4-methoxy-phenyl)-5-(2-methylpropylsulfanyl)-1,2,4-triazole Openeye Name: 3-(4-tert-butylphenyl)-4-(3-chloro-4-methoxy-phenyl)-5-isobutylsulfanyl-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-4-(3-chloro-4-methoxyphenyl)-5-(2-methylpropylthio)-1,2,4-triazole IUPAC Name: 3-(4-tert-butylphenyl)-4-(3-chloro-4-methoxyphenyl)-5-(2-methylpropylsulfanyl)-1,2,4-triazole Traditional Name: 3-(4-tert-butylphenyl)-4-(3-chloro-4-methoxy-phenyl)-5-(isobutylthio)-1,2,4-triazole Formula: C23H28ClN3OS MolecularWeight: 430.00592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=NN=C(N1C2=CC(=C(C=C2)OC)Cl)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC(C)CSC1=NN=C(N1C2=CC(=C(C=C2)OC)Cl)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C23H28ClN3OS/c1-15(2)14-29-22-26-25-21(16-7-9-17(10-8-16)23(3,4)5)27(22)18-11-12-20(28-6)19(24)13-18/h7-13,15H,14H2,1-6H3