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

Systemtic Name: 5-cyclopropyl-1-phenyl-3-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 5-cyclopropyl-1-phenyl-3-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 5-cyclopropyl-1-phenyl-3-[[4-(1-pyrazolyl)phenyl]methylthio]-1,2,4-triazole IUPAC Name: 5-cyclopropyl-1-phenyl-3-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 5-cyclopropyl-1-phenyl-3-[(4-pyrazol-1-ylbenzyl)thio]-1,2,4-triazole Formula: C21H19N5S MolecularWeight: 373.47406

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=NN2C3=CC=CC=C3)SCC4=CC=C(C=C4)N5C=CC=N5

Isomeric SMILES

C1CC1C2=NC(=NN2C3=CC=CC=C3)SCC4=CC=C(C=C4)N5C=CC=N5

InChI

InChI=1S/C21H19N5S/c1-2-5-19(6-3-1)26-20(17-9-10-17)23-21(24-26)27-15-16-7-11-18(12-8-16)25-14-4-13-22-25/h1-8,11-14,17H,9-10,15H2