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

Systemtic Name: 6-nitro-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3-benzothiazole Openeye Name: 6-nitro-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1,3-benzothiazole CAS Name: 6-nitro-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]-1,3-benzothiazole IUPAC Name: 6-nitro-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3-benzothiazole Traditional Name: 6-nitro-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]-1,3-benzothiazole Formula: C13H7N5O2S3 MolecularWeight: 361.42198

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=NC(=NN2)SC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CSC(=C1)C2=NC(=NN2)SC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C13H7N5O2S3/c19-18(20)7-3-4-8-10(6-7)22-13(14-8)23-12-15-11(16-17-12)9-2-1-5-21-9/h1-6H,(H,15,16,17)