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

Systemtic Name: 4-chloranyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3-benzothiazole Openeye Name: 4-chloro-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1,3-benzothiazole CAS Name: 4-chloro-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]-1,3-benzothiazole IUPAC Name: 4-chloro-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3-benzothiazole Traditional Name: 4-chloro-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]-1,3-benzothiazole Formula: C13H7ClN4S3 MolecularWeight: 350.86948

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)Cl)N=C(S2)SC3=NNC(=N3)C4=CC=CS4

Isomeric SMILES

C1=CC2=C(C(=C1)Cl)N=C(S2)SC3=NNC(=N3)C4=CC=CS4

InChI

InChI=1S/C13H7ClN4S3/c14-7-3-1-4-8-10(7)15-13(20-8)21-12-16-11(17-18-12)9-5-2-6-19-9/h1-6H,(H,16,17,18)