5-phenyl-3-[(4-propan-2-ylphenyl)methylsulfanyl]-1H-1,2,4-triazole

Systemtic Name: 5-phenyl-3-[(4-propan-2-ylphenyl)methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 3-[(4-isopropylphenyl)methylsulfanyl]-5-phenyl-1H-1,2,4-triazole CAS Name: 5-phenyl-3-[(4-propan-2-ylphenyl)methylthio]-1H-1,2,4-triazole IUPAC Name: 5-phenyl-3-[(4-propan-2-ylphenyl)methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 3-[(4-isopropylbenzyl)thio]-5-phenyl-1H-1,2,4-triazole Formula: C18H19N3S MolecularWeight: 309.42856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CSC2=NNC(=N2)C3=CC=CC=C3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CSC2=NNC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C18H19N3S/c1-13(2)15-10-8-14(9-11-15)12-22-18-19-17(20-21-18)16-6-4-3-5-7-16/h3-11,13H,12H2,1-2H3,(H,19,20,21)