4-methyl-3-phenyl-5-prop-2-enylsulfanyl-1,2,4-triazole

Systemtic Name: 4-methyl-3-phenyl-5-prop-2-enylsulfanyl-1,2,4-triazole Openeye Name: 3-allylsulfanyl-4-methyl-5-phenyl-1,2,4-triazole CAS Name: 4-methyl-3-phenyl-5-(prop-2-enylthio)-1,2,4-triazole IUPAC Name: 4-methyl-3-phenyl-5-prop-2-enylsulfanyl-1,2,4-triazole Traditional Name: 3-(allylthio)-4-methyl-5-phenyl-1,2,4-triazole Formula: C12H13N3S MolecularWeight: 231.31672

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC=C)C2=CC=CC=C2

Isomeric SMILES

CN1C(=NN=C1SCC=C)C2=CC=CC=C2

InChI

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