2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-benzothiazole

Systemtic Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-benzothiazole Openeye Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-benzothiazole CAS Name: 2-[[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]-1,3-benzothiazole IUPAC Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-benzothiazole Traditional Name: 2-[[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]-1,3-benzothiazole Formula: C16H12N4S2 MolecularWeight: 324.42328

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NN2)SCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NN2)SCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C16H12N4S2/c1-2-6-11(7-3-1)15-18-16(20-19-15)21-10-14-17-12-8-4-5-9-13(12)22-14/h1-9H,10H2,(H,18,19,20)