3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-allyl-3-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-[(1,3-benzothiazol-2-ylthio)methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-allyl-3-[(1,3-benzothiazol-2-ylthio)methyl]-1H-1,2,4-triazole-5-thione Formula: C13H12N4S3 MolecularWeight: 320.45618

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NNC1=S)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

C=CCN1C(=NNC1=S)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C13H12N4S3/c1-2-7-17-11(15-16-12(17)18)8-19-13-14-9-5-3-4-6-10(9)20-13/h2-6H,1,7-8H2,(H,16,18)