2-[[5-ethylsulfanyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]methylsulfanyl]-1,3-benzothiazole

Systemtic Name: 2-[[5-ethylsulfanyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]methylsulfanyl]-1,3-benzothiazole Openeye Name: 2-[(4-benzyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)methylsulfanyl]-1,3-benzothiazole CAS Name: 2-[[5-(ethylthio)-4-(phenylmethyl)-1,2,4-triazol-3-yl]methylthio]-1,3-benzothiazole IUPAC Name: 2-[(4-benzyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)methylsulfanyl]-1,3-benzothiazole Traditional Name: 2-[[4-benzyl-5-(ethylthio)-1,2,4-triazol-3-yl]methylthio]-1,3-benzothiazole Formula: C19H18N4S3 MolecularWeight: 398.56802

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1CC2=CC=CC=C2)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCSC1=NN=C(N1CC2=CC=CC=C2)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H18N4S3/c1-2-24-18-22-21-17(23(18)12-14-8-4-3-5-9-14)13-25-19-20-15-10-6-7-11-16(15)26-19/h3-11H,2,12-13H2,1H3