2-[[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-5-chloranyl-1,3-benzothiazole

Systemtic Name: 2-[[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-5-chloranyl-1,3-benzothiazole Openeye Name: 2-[[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-5-chloro-1,3-benzothiazole CAS Name: 2-[[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]thio]-5-chloro-1,3-benzothiazole IUPAC Name: 2-[[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-5-chloro-1,3-benzothiazole Traditional Name: 2-[[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]thio]-5-chloro-1,3-benzothiazole Formula: C19H17ClN4S2 MolecularWeight: 400.94808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC(=NN2)SC3=NC4=C(S3)C=CC(=C4)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC(=NN2)SC3=NC4=C(S3)C=CC(=C4)Cl

InChI

InChI=1S/C19H17ClN4S2/c1-19(2,3)12-6-4-11(5-7-12)16-22-17(24-23-16)26-18-21-14-10-13(20)8-9-15(14)25-18/h4-10H,1-3H3,(H,22,23,24)