3-[(3-chlorophenyl)methylsulfanyl]-4-phenethyl-1,2,4-triazole

Systemtic Name: 3-[(3-chlorophenyl)methylsulfanyl]-4-phenethyl-1,2,4-triazole Openeye Name: 3-[(3-chlorophenyl)methylsulfanyl]-4-phenethyl-1,2,4-triazole CAS Name: 3-[(3-chlorophenyl)methylthio]-4-phenethyl-1,2,4-triazole IUPAC Name: 3-[(3-chlorophenyl)methylsulfanyl]-4-phenethyl-1,2,4-triazole Traditional Name: 3-[(3-chlorobenzyl)thio]-4-phenethyl-1,2,4-triazole Formula: C17H16ClN3S MolecularWeight: 329.84704

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C=NN=C2SCC3=CC(=CC=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCN2C=NN=C2SCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C17H16ClN3S/c18-16-8-4-7-15(11-16)12-22-17-20-19-13-21(17)10-9-14-5-2-1-3-6-14/h1-8,11,13H,9-10,12H2