3-[(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazol-2-one

Systemtic Name: 3-[(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazol-2-one Openeye Name: 3-[(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazol-2-one CAS Name: 3-[(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazol-2-one IUPAC Name: 3-[(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazol-2-one Traditional Name: 3-[(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazol-2-one Formula: C13H12N4OS2 MolecularWeight: 304.39058

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NNC1=S)CN2C3=CC=CC=C3SC2=O

Isomeric SMILES

C=CCN1C(=NNC1=S)CN2C3=CC=CC=C3SC2=O

InChI

InChI=1S/C13H12N4OS2/c1-2-7-16-11(14-15-12(16)19)8-17-9-5-3-4-6-10(9)20-13(17)18/h2-6H,1,7-8H2,(H,15,19)