3-[(5-chloranyl-2-methoxy-phenyl)methylsulfanyl]-5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazole

Systemtic Name: 3-[(5-chloranyl-2-methoxy-phenyl)methylsulfanyl]-5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazole Openeye Name: 4-benzyl-3-[(5-chloro-2-methoxy-phenyl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazole CAS Name: 3-[(5-chloro-2-methoxyphenyl)methylthio]-5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazole IUPAC Name: 4-benzyl-3-[(5-chloro-2-methoxyphenyl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazole Traditional Name: 4-benzyl-3-[(5-chloro-2-methoxy-benzyl)thio]-5-cyclopropyl-1,2,4-triazole Formula: C20H20ClN3OS MolecularWeight: 385.9103

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)CSC2=NN=C(N2CC3=CC=CC=C3)C4CC4

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)CSC2=NN=C(N2CC3=CC=CC=C3)C4CC4

InChI

InChI=1S/C20H20ClN3OS/c1-25-18-10-9-17(21)11-16(18)13-26-20-23-22-19(15-7-8-15)24(20)12-14-5-3-2-4-6-14/h2-6,9-11,15H,7-8,12-13H2,1H3