2-[[4-(3-methoxypropyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-6-methylsulfonyl-1,3-benzothiazole

Systemtic Name: 2-[[4-(3-methoxypropyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-6-methylsulfonyl-1,3-benzothiazole Openeye Name: 2-[[4-(3-methoxypropyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-6-methylsulfonyl-1,3-benzothiazole CAS Name: 2-[[4-(3-methoxypropyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]-6-methylsulfonyl-1,3-benzothiazole IUPAC Name: 2-[[4-(3-methoxypropyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-6-methylsulfonyl-1,3-benzothiazole Traditional Name: 6-mesyl-2-[[4-(3-methoxypropyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-1,3-benzothiazole Formula: C18H18N4O3S4 MolecularWeight: 466.62052

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=NN=C1SC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C)C4=CC=CS4

Isomeric SMILES

COCCCN1C(=NN=C1SC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C)C4=CC=CS4

InChI

InChI=1S/C18H18N4O3S4/c1-25-9-4-8-22-16(14-5-3-10-26-14)20-21-17(22)28-18-19-13-7-6-12(29(2,23)24)11-15(13)27-18/h3,5-7,10-11H,4,8-9H2,1-2H3