3-[(4-methoxy-2-methyl-5-propan-2-yl-phenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole

Systemtic Name: 3-[(4-methoxy-2-methyl-5-propan-2-yl-phenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole Openeye Name: 3-[(5-isopropyl-4-methoxy-2-methyl-phenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole CAS Name: 3-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylthio]-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole Traditional Name: 3-[(5-isopropyl-4-methoxy-2-methyl-benzyl)thio]-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole Formula: C27H29N3O2S MolecularWeight: 459.60306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)OC)C(C)C)OC

Isomeric SMILES

CC1=CC(=C(C=C1CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)OC)C(C)C)OC

InChI

InChI=1S/C27H29N3O2S/c1-18(2)24-16-21(19(3)15-25(24)32-5)17-33-27-29-28-26(20-11-13-23(31-4)14-12-20)30(27)22-9-7-6-8-10-22/h6-16,18H,17H2,1-5H3