3-methyl-5-(phenylmethylsulfanyl)-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-methyl-5-(phenylmethylsulfanyl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-benzylsulfanyl-5-methyl-1,2,4-triazole CAS Name: 3-methyl-5-(phenylmethylthio)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-5-methyl-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(benzylthio)-5-methyl-1,2,4-triazole Formula: C13H15N3S MolecularWeight: 245.3433

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC=C)SCC2=CC=CC=C2

Isomeric SMILES

CC1=NN=C(N1CC=C)SCC2=CC=CC=C2

InChI

InChI=1S/C13H15N3S/c1-3-9-16-11(2)14-15-13(16)17-10-12-7-5-4-6-8-12/h3-8H,1,9-10H2,2H3