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

Systemtic Name: 2-[[4-(3-methoxypropyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-1,3-thiazole Openeye Name: 2-[[4-(3-methoxypropyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-thiazole CAS Name: 2-[[4-(3-methoxypropyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]-5-nitrothiazole IUPAC Name: 2-[[4-(3-methoxypropyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-1,3-thiazole Traditional Name: 2-[[4-(3-methoxypropyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-5-nitro-thiazole Formula: C13H13N5O3S3 MolecularWeight: 383.46902

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=NN=C1SC2=NC=C(S2)[N+](=O)[O-])C3=CC=CS3

Isomeric SMILES

COCCCN1C(=NN=C1SC2=NC=C(S2)[N+](=O)[O-])C3=CC=CS3

InChI

InChI=1S/C13H13N5O3S3/c1-21-6-3-5-17-11(9-4-2-7-22-9)15-16-12(17)24-13-14-8-10(23-13)18(19)20/h2,4,7-8H,3,5-6H2,1H3