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

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

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC=C(C=C2)N3C=CC=N3)C4=CC=CC=C4

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC=C(C=C2)N3C=CC=N3)C4=CC=CC=C4

InChI

InChI=1S/C21H19N5S/c1-2-14-25-20(18-7-4-3-5-8-18)23-24-21(25)27-16-17-9-11-19(12-10-17)26-15-6-13-22-26/h2-13,15H,1,14,16H2