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

Systemtic Name: 6-nitro-2-[(4-pyridin-3-yl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1,3-benzothiazole Openeye Name: 6-nitro-2-[[4-(3-pyridyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-1,3-benzothiazole CAS Name: 6-nitro-2-[[4-(3-pyridinyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]-1,3-benzothiazole IUPAC Name: 6-nitro-2-[(4-pyridin-3-yl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1,3-benzothiazole Traditional Name: 6-nitro-2-[[4-(3-pyridyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-1,3-benzothiazole Formula: C18H10N6O2S3 MolecularWeight: 438.506

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)N2C(=NN=C2SC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])C5=CC=CS5

Isomeric SMILES

C1=CC(=CN=C1)N2C(=NN=C2SC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])C5=CC=CS5

InChI

InChI=1S/C18H10N6O2S3/c25-24(26)11-5-6-13-15(9-11)28-18(20-13)29-17-22-21-16(14-4-2-8-27-14)23(17)12-3-1-7-19-10-12/h1-10H