2-[[5-(4-chlorophenyl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzothiazole

Systemtic Name: 2-[[5-(4-chlorophenyl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzothiazole Openeye Name: 2-[[5-(4-chlorophenyl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzothiazole CAS Name: 2-[[[5-(4-chlorophenyl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]thio]methyl]-1,3-benzothiazole IUPAC Name: 2-[[5-(4-chlorophenyl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzothiazole Traditional Name: 2-[[[5-(4-chlorophenyl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]thio]methyl]-1,3-benzothiazole Formula: C20H19ClN4OS2 MolecularWeight: 430.97406

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=NN=C1SCC2=NC3=CC=CC=C3S2)C4=CC=C(C=C4)Cl

Isomeric SMILES

COCCCN1C(=NN=C1SCC2=NC3=CC=CC=C3S2)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H19ClN4OS2/c1-26-12-4-11-25-19(14-7-9-15(21)10-8-14)23-24-20(25)27-13-18-22-16-5-2-3-6-17(16)28-18/h2-3,5-10H,4,11-13H2,1H3