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

Systemtic Name: 2-[[4-(4-tert-butylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-6-nitro-1,3-benzothiazole Openeye Name: 2-[[4-(4-tert-butylphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-6-nitro-1,3-benzothiazole CAS Name: 2-[[4-(4-tert-butylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]-6-nitro-1,3-benzothiazole IUPAC Name: 2-[[4-(4-tert-butylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-6-nitro-1,3-benzothiazole Traditional Name: 2-[[4-(4-tert-butylphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-6-nitro-1,3-benzothiazole Formula: C23H19N5O2S3 MolecularWeight: 493.62426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19N5O2S3/c1-23(2,3)14-6-8-15(9-7-14)27-20(18-5-4-12-31-18)25-26-21(27)33-22-24-17-11-10-16(28(29)30)13-19(17)32-22/h4-13H,1-3H3