3-[(4-butoxyphenyl)methyl]-4-phenyl-5-propan-2-ylsulfanyl-1,2,4-triazole

Systemtic Name: 3-[(4-butoxyphenyl)methyl]-4-phenyl-5-propan-2-ylsulfanyl-1,2,4-triazole Openeye Name: 3-[(4-butoxyphenyl)methyl]-5-isopropylsulfanyl-4-phenyl-1,2,4-triazole CAS Name: 3-[(4-butoxyphenyl)methyl]-4-phenyl-5-(propan-2-ylthio)-1,2,4-triazole IUPAC Name: 3-[(4-butoxyphenyl)methyl]-4-phenyl-5-propan-2-ylsulfanyl-1,2,4-triazole Traditional Name: 3-(4-butoxybenzyl)-5-(isopropylthio)-4-phenyl-1,2,4-triazole Formula: C22H27N3OS MolecularWeight: 381.53428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)CC2=NN=C(N2C3=CC=CC=C3)SC(C)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)CC2=NN=C(N2C3=CC=CC=C3)SC(C)C

InChI

InChI=1S/C22H27N3OS/c1-4-5-15-26-20-13-11-18(12-14-20)16-21-23-24-22(27-17(2)3)25(21)19-9-7-6-8-10-19/h6-14,17H,4-5,15-16H2,1-3H3