5-(phenylsulfanylmethyl)-4-prop-2-enyl-1,2,4-triazole-3-thiolate

Systemtic Name: 5-(phenylsulfanylmethyl)-4-prop-2-enyl-1,2,4-triazole-3-thiolate Openeye Name: 4-allyl-5-(phenylsulfanylmethyl)-1,2,4-triazole-3-thiolate CAS Name: 5-[(phenylthio)methyl]-4-prop-2-enyl-1,2,4-triazole-3-thiolate IUPAC Name: 5-(phenylsulfanylmethyl)-4-prop-2-enyl-1,2,4-triazole-3-thiolate Traditional Name: 4-allyl-5-[(phenylthio)methyl]-1,2,4-triazole-3-thiolate Formula: C12H12N3S2- MolecularWeight: 262.37378

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1[S-])CSC2=CC=CC=C2

Isomeric SMILES

C=CCN1C(=NN=C1[S-])CSC2=CC=CC=C2

InChI

InChI=1S/C12H13N3S2/c1-2-8-15-11(13-14-12(15)16)9-17-10-6-4-3-5-7-10/h2-7H,1,8-9H2,(H,14,16)/p-1