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

Systemtic Name: 2-[[4-(3-methoxypropyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-6-nitro-1,3-benzothiazole Openeye Name: 2-[[4-(3-methoxypropyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-6-nitro-1,3-benzothiazole CAS Name: 2-[[4-(3-methoxypropyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]-6-nitro-1,3-benzothiazole IUPAC Name: 2-[[4-(3-methoxypropyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-6-nitro-1,3-benzothiazole Traditional Name: 2-[[4-(3-methoxypropyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-6-nitro-1,3-benzothiazole Formula: C17H15N5O3S3 MolecularWeight: 433.5277

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=NN=C1SC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C4=CC=CS4

Isomeric SMILES

COCCCN1C(=NN=C1SC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C4=CC=CS4

InChI

InChI=1S/C17H15N5O3S3/c1-25-8-3-7-21-15(13-4-2-9-26-13)19-20-16(21)28-17-18-12-6-5-11(22(23)24)10-14(12)27-17/h2,4-6,9-10H,3,7-8H2,1H3