3-(3-methylphenyl)-4-propyl-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 3-(3-methylphenyl)-4-propyl-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-(m-tolyl)-4-propyl-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(3-methylphenyl)-4-propyl-5-[[4-(1-pyrazolyl)phenyl]methylthio]-1,2,4-triazole IUPAC Name: 3-(3-methylphenyl)-4-propyl-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-(m-tolyl)-4-propyl-5-[(4-pyrazol-1-ylbenzyl)thio]-1,2,4-triazole Formula: C22H23N5S MolecularWeight: 389.51652

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC2=CC=C(C=C2)N3C=CC=N3)C4=CC(=CC=C4)C

Isomeric SMILES

CCCN1C(=NN=C1SCC2=CC=C(C=C2)N3C=CC=N3)C4=CC(=CC=C4)C

InChI

InChI=1S/C22H23N5S/c1-3-13-26-21(19-7-4-6-17(2)15-19)24-25-22(26)28-16-18-8-10-20(11-9-18)27-14-5-12-23-27/h4-12,14-15H,3,13,16H2,1-2H3