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

Systemtic Name: 2-[(4-phenethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1,3-benzothiazole Openeye Name: 2-[[4-phenethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-1,3-benzothiazole CAS Name: 2-[(4-phenethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1,3-benzothiazole IUPAC Name: 2-[(4-phenethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1,3-benzothiazole Traditional Name: 2-[[4-phenethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-1,3-benzothiazole Formula: C21H16N4S3 MolecularWeight: 420.57354

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=NN=C2SC3=NC4=CC=CC=C4S3)C5=CC=CS5

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=NN=C2SC3=NC4=CC=CC=C4S3)C5=CC=CS5

InChI

InChI=1S/C21H16N4S3/c1-2-7-15(8-3-1)12-13-25-19(18-11-6-14-26-18)23-24-20(25)28-21-22-16-9-4-5-10-17(16)27-21/h1-11,14H,12-13H2