2-[[5-(4-chlorophenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzothiazole

Systemtic Name: 2-[[5-(4-chlorophenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzothiazole Openeye Name: 2-[[4-benzyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzothiazole CAS Name: 2-[[[5-(4-chlorophenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-1,3-benzothiazole IUPAC Name: 2-[[4-benzyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzothiazole Traditional Name: 2-[[[4-benzyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]thio]methyl]-1,3-benzothiazole Formula: C23H17ClN4S2 MolecularWeight: 448.99088

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=NC4=CC=CC=C4S3)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=NC4=CC=CC=C4S3)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C23H17ClN4S2/c24-18-12-10-17(11-13-18)22-26-27-23(28(22)14-16-6-2-1-3-7-16)29-15-21-25-19-8-4-5-9-20(19)30-21/h1-13H,14-15H2