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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN=C(N1C2=CC=CC=C2)SC3=NC4=C(S3)C=CC=C4Cl

Isomeric SMILES

CC(C)(C)C1=NN=C(N1C2=CC=CC=C2)SC3=NC4=C(S3)C=CC=C4Cl

InChI

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