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

Systemtic Name: 3-(4-chlorophenyl)-4-prop-2-enyl-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 4-allyl-3-(4-chlorophenyl)-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(4-chlorophenyl)-4-prop-2-enyl-5-[[4-(1-pyrazolyl)phenyl]methylthio]-1,2,4-triazole IUPAC Name: 3-(4-chlorophenyl)-4-prop-2-enyl-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-allyl-3-(4-chlorophenyl)-5-[(4-pyrazol-1-ylbenzyl)thio]-1,2,4-triazole Formula: C21H18ClN5S MolecularWeight: 407.91912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClN5S/c1-2-13-26-20(17-6-8-18(22)9-7-17)24-25-21(26)28-15-16-4-10-19(11-5-16)27-14-3-12-23-27/h2-12,14H,1,13,15H2