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

Systemtic Name: 2-[[4-(5-methylsulfonylpentyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-6-nitro-1,3-benzothiazole Openeye Name: 2-[[4-(5-methylsulfonylpentyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-6-nitro-1,3-benzothiazole CAS Name: 2-[[4-(5-methylsulfonylpentyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]-6-nitro-1,3-benzothiazole IUPAC Name: 2-[[4-(5-methylsulfonylpentyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-6-nitro-1,3-benzothiazole Traditional Name: 2-[[4-(5-mesylpentyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-6-nitro-1,3-benzothiazole Formula: C19H19N5O4S4 MolecularWeight: 509.64526

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCCCCN1C(=NN=C1SC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C4=CC=CS4

Isomeric SMILES

CS(=O)(=O)CCCCCN1C(=NN=C1SC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C4=CC=CS4

InChI

InChI=1S/C19H19N5O4S4/c1-32(27,28)11-4-2-3-9-23-17(15-6-5-10-29-15)21-22-18(23)31-19-20-14-8-7-13(24(25)26)12-16(14)30-19/h5-8,10,12H,2-4,9,11H2,1H3