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

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

CC1=NN=C(N1C2CC2)SCC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

CC1=NN=C(N1C2CC2)SCC3=CC=C(C=C3)N4C=CC=N4

InChI

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