3-(4-tert-butylphenyl)-5-[(1-methylpyrrol-2-yl)methylsulfanyl]-4-phenyl-1,2,4-triazole

Systemtic Name: 3-(4-tert-butylphenyl)-5-[(1-methylpyrrol-2-yl)methylsulfanyl]-4-phenyl-1,2,4-triazole Openeye Name: 3-(4-tert-butylphenyl)-5-[(1-methylpyrrol-2-yl)methylsulfanyl]-4-phenyl-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-5-[(1-methyl-2-pyrrolyl)methylthio]-4-phenyl-1,2,4-triazole IUPAC Name: 3-(4-tert-butylphenyl)-5-[(1-methylpyrrol-2-yl)methylsulfanyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-(4-tert-butylphenyl)-5-[(1-methylpyrrol-2-yl)methylthio]-4-phenyl-1,2,4-triazole Formula: C24H26N4S MolecularWeight: 402.55504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC=CN4C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC=CN4C

InChI

InChI=1S/C24H26N4S/c1-24(2,3)19-14-12-18(13-15-19)22-25-26-23(28(22)20-9-6-5-7-10-20)29-17-21-11-8-16-27(21)4/h5-16H,17H2,1-4H3