2-[[4-ethyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-3-yl]methylsulfanyl]-1,3-benzothiazole

Systemtic Name: 2-[[4-ethyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-3-yl]methylsulfanyl]-1,3-benzothiazole Openeye Name: 2-[[5-[(E)-cinnamyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methylsulfanyl]-1,3-benzothiazole CAS Name: 2-[[4-ethyl-5-[[(E)-3-phenylprop-2-enyl]thio]-1,2,4-triazol-3-yl]methylthio]-1,3-benzothiazole IUPAC Name: 2-[[4-ethyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-3-yl]methylsulfanyl]-1,3-benzothiazole Traditional Name: 2-[[5-[[(E)-cinnamyl]thio]-4-ethyl-1,2,4-triazol-3-yl]methylthio]-1,3-benzothiazole Formula: C21H20N4S3 MolecularWeight: 424.6053

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC=CC2=CC=CC=C2)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCN1C(=NN=C1SC/C=C/C2=CC=CC=C2)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H20N4S3/c1-2-25-19(15-27-21-22-17-12-6-7-13-18(17)28-21)23-24-20(25)26-14-8-11-16-9-4-3-5-10-16/h3-13H,2,14-15H2,1H3/b11-8+