3-[(4-chlorophenyl)methylsulfanyl]-4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazole

Systemtic Name: 3-[(4-chlorophenyl)methylsulfanyl]-4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazole Openeye Name: 3-[(4-chlorophenyl)methylsulfanyl]-4-cyclopropyl-5-(2-thienyl)-1,2,4-triazole CAS Name: 3-[(4-chlorophenyl)methylthio]-4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazole IUPAC Name: 3-[(4-chlorophenyl)methylsulfanyl]-4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazole Traditional Name: 3-[(4-chlorobenzyl)thio]-4-cyclopropyl-5-(2-thienyl)-1,2,4-triazole Formula: C16H14ClN3S2 MolecularWeight: 347.88546

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC3=CC=C(C=C3)Cl)C4=CC=CS4

Isomeric SMILES

C1CC1N2C(=NN=C2SCC3=CC=C(C=C3)Cl)C4=CC=CS4

InChI

InChI=1S/C16H14ClN3S2/c17-12-5-3-11(4-6-12)10-22-16-19-18-15(14-2-1-9-21-14)20(16)13-7-8-13/h1-6,9,13H,7-8,10H2