3-[(4-chlorophenyl)methyl]-6-[(E)-2-thiophen-2-ylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Systemtic Name: 3-[(4-chlorophenyl)methyl]-6-[(E)-2-thiophen-2-ylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole Openeye Name: 3-[(4-chlorophenyl)methyl]-6-[(E)-2-(2-thienyl)vinyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole CAS Name: 3-[(4-chlorophenyl)methyl]-6-[(E)-2-thiophen-2-ylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole IUPAC Name: 3-[(4-chlorophenyl)methyl]-6-[(E)-2-thiophen-2-ylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole Traditional Name: 3-(4-chlorobenzyl)-6-[(E)-2-(2-thienyl)vinyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole Formula: C16H11ClN4S2 MolecularWeight: 358.86834

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C=CC2=NN3C(=NN=C3S2)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CSC(=C1)/C=C/C2=NN3C(=NN=C3S2)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C16H11ClN4S2/c17-12-5-3-11(4-6-12)10-14-18-19-16-21(14)20-15(23-16)8-7-13-2-1-9-22-13/h1-9H,10H2/b8-7+