3-cyclopropyl-4-methyl-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 3-cyclopropyl-4-methyl-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-cyclopropyl-4-methyl-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-cyclopropyl-4-methyl-5-[[4-(1-pyrazolyl)phenyl]methylthio]-1,2,4-triazole IUPAC Name: 3-cyclopropyl-4-methyl-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-cyclopropyl-4-methyl-5-[(4-pyrazol-1-ylbenzyl)thio]-1,2,4-triazole Formula: C16H17N5S MolecularWeight: 311.40468

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=C(C=C2)N3C=CC=N3)C4CC4

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=C(C=C2)N3C=CC=N3)C4CC4

InChI

InChI=1S/C16H17N5S/c1-20-15(13-5-6-13)18-19-16(20)22-11-12-3-7-14(8-4-12)21-10-2-9-17-21/h2-4,7-10,13H,5-6,11H2,1H3