3-(1,3-benzothiazol-2-ylmethylsulfanyl)-4-(phenylmethyl)-1H-1,2,4-triazol-5-one

Systemtic Name: 3-(1,3-benzothiazol-2-ylmethylsulfanyl)-4-(phenylmethyl)-1H-1,2,4-triazol-5-one Openeye Name: 3-(1,3-benzothiazol-2-ylmethylsulfanyl)-4-benzyl-1H-1,2,4-triazol-5-one CAS Name: 3-(1,3-benzothiazol-2-ylmethylthio)-4-(phenylmethyl)-1H-1,2,4-triazol-5-one IUPAC Name: 3-(1,3-benzothiazol-2-ylmethylsulfanyl)-4-benzyl-1H-1,2,4-triazol-5-one Traditional Name: 3-(1,3-benzothiazol-2-ylmethylthio)-4-benzyl-1H-1,2,4-triazol-5-one Formula: C17H14N4OS2 MolecularWeight: 354.44926

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)NN=C2SCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)NN=C2SCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C17H14N4OS2/c22-16-19-20-17(21(16)10-12-6-2-1-3-7-12)23-11-15-18-13-8-4-5-9-14(13)24-15/h1-9H,10-11H2,(H,19,22)