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

Systemtic Name: 2-[[4-(3-methoxypropyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1,3-benzothiazole Openeye Name: 2-[[4-(3-methoxypropyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-1,3-benzothiazole CAS Name: 2-[[4-(3-methoxypropyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]-1,3-benzothiazole IUPAC Name: 2-[[4-(3-methoxypropyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1,3-benzothiazole Traditional Name: 2-[[4-(3-methoxypropyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-1,3-benzothiazole Formula: C17H16N4OS3 MolecularWeight: 388.53014

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=NN=C1SC2=NC3=CC=CC=C3S2)C4=CC=CS4

Isomeric SMILES

COCCCN1C(=NN=C1SC2=NC3=CC=CC=C3S2)C4=CC=CS4

InChI

InChI=1S/C17H16N4OS3/c1-22-10-5-9-21-15(14-8-4-11-23-14)19-20-16(21)25-17-18-12-6-2-3-7-13(12)24-17/h2-4,6-8,11H,5,9-10H2,1H3