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

Systemtic Name: 3-(phenylsulfanylmethyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-allyl-3-(phenylsulfanylmethyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-[(phenylthio)methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(phenylsulfanylmethyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-allyl-3-[(phenylthio)methyl]-1H-1,2,4-triazole-5-thione Formula: C12H13N3S2 MolecularWeight: 263.38172

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NNC1=S)CSC2=CC=CC=C2

Isomeric SMILES

C=CCN1C(=NNC1=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)