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

Systemtic Name: 2-[[4-(4-tert-butylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-1,3-thiazole Openeye Name: 2-[[4-(4-tert-butylphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-thiazole CAS Name: 2-[[4-(4-tert-butylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]-5-nitrothiazole IUPAC Name: 2-[[4-(4-tert-butylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-1,3-thiazole Traditional Name: 2-[[4-(4-tert-butylphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-5-nitro-thiazole Formula: C19H17N5O2S3 MolecularWeight: 443.56558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)N2C(=NN=C2SC3=NC=C(S3)[N+](=O)[O-])C4=CC=CS4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N2C(=NN=C2SC3=NC=C(S3)[N+](=O)[O-])C4=CC=CS4

InChI

InChI=1S/C19H17N5O2S3/c1-19(2,3)12-6-8-13(9-7-12)23-16(14-5-4-10-27-14)21-22-17(23)29-18-20-11-15(28-18)24(25)26/h4-11H,1-3H3