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

Systemtic Name: 3-[(2-chlorophenyl)methylsulfanyl]-5-(2-phenylcyclopropyl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(2-chlorophenyl)methylsulfanyl]-5-(2-phenylcyclopropyl)-1,2,4-triazole CAS Name: 3-[(2-chlorophenyl)methylthio]-5-(2-phenylcyclopropyl)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(2-chlorophenyl)methylsulfanyl]-5-(2-phenylcyclopropyl)-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(2-chlorobenzyl)thio]-5-(2-phenylcyclopropyl)-1,2,4-triazole Formula: C21H20ClN3S MolecularWeight: 381.9216

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC=CC=C2Cl)C3CC3C4=CC=CC=C4

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC=CC=C2Cl)C3CC3C4=CC=CC=C4

InChI

InChI=1S/C21H20ClN3S/c1-2-12-25-20(18-13-17(18)15-8-4-3-5-9-15)23-24-21(25)26-14-16-10-6-7-11-19(16)22/h2-11,17-18H,1,12-14H2