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

Systemtic Name: 4-chloranyl-2-[(4-phenethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1,3-benzothiazole Openeye Name: 4-chloro-2-[[4-phenethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-1,3-benzothiazole CAS Name: 4-chloro-2-[(4-phenethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1,3-benzothiazole IUPAC Name: 4-chloro-2-[(4-phenethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1,3-benzothiazole Traditional Name: 4-chloro-2-[[4-phenethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-1,3-benzothiazole Formula: C21H15ClN4S3 MolecularWeight: 455.0186

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=NN=C2SC3=NC4=C(S3)C=CC=C4Cl)C5=CC=CS5

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=NN=C2SC3=NC4=C(S3)C=CC=C4Cl)C5=CC=CS5

InChI

InChI=1S/C21H15ClN4S3/c22-15-8-4-9-16-18(15)23-21(28-16)29-20-25-24-19(17-10-5-13-27-17)26(20)12-11-14-6-2-1-3-7-14/h1-10,13H,11-12H2