3-methylsulfanyl-5-phenyl-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-methylsulfanyl-5-phenyl-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-methylsulfanyl-5-phenyl-1,2,4-triazole CAS Name: 3-(methylthio)-5-phenyl-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-methylsulfanyl-5-phenyl-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(methylthio)-5-phenyl-1,2,4-triazole Formula: C12H13N3S MolecularWeight: 231.31672

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=C(N1CC=C)C2=CC=CC=C2

Isomeric SMILES

CSC1=NN=C(N1CC=C)C2=CC=CC=C2

InChI

InChI=1S/C12H13N3S/c1-3-9-15-11(13-14-12(15)16-2)10-7-5-4-6-8-10/h3-8H,1,9H2,2H3