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

Systemtic Name: 3-[(2-chlorophenyl)methylsulfanyl]-4-(phenylmethyl)-5-thiophen-3-yl-1,2,4-triazole Openeye Name: 4-benzyl-3-[(2-chlorophenyl)methylsulfanyl]-5-(3-thienyl)-1,2,4-triazole CAS Name: 3-[(2-chlorophenyl)methylthio]-4-(phenylmethyl)-5-(3-thiophenyl)-1,2,4-triazole IUPAC Name: 4-benzyl-3-[(2-chlorophenyl)methylsulfanyl]-5-thiophen-3-yl-1,2,4-triazole Traditional Name: 4-benzyl-3-[(2-chlorobenzyl)thio]-5-(3-thienyl)-1,2,4-triazole Formula: C20H16ClN3S2 MolecularWeight: 397.94414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=CC=CC=C3Cl)C4=CSC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=CC=CC=C3Cl)C4=CSC=C4

InChI

InChI=1S/C20H16ClN3S2/c21-18-9-5-4-8-16(18)14-26-20-23-22-19(17-10-11-25-13-17)24(20)12-15-6-2-1-3-7-15/h1-11,13H,12,14H2