3-methyl-4-(phenylmethyl)-5-prop-2-enylsulfanyl-1,2,4-triazole

Systemtic Name: 3-methyl-4-(phenylmethyl)-5-prop-2-enylsulfanyl-1,2,4-triazole Openeye Name: 3-allylsulfanyl-4-benzyl-5-methyl-1,2,4-triazole CAS Name: 3-methyl-4-(phenylmethyl)-5-(prop-2-enylthio)-1,2,4-triazole IUPAC Name: 4-benzyl-3-methyl-5-prop-2-enylsulfanyl-1,2,4-triazole Traditional Name: 3-(allylthio)-4-benzyl-5-methyl-1,2,4-triazole Formula: C13H15N3S MolecularWeight: 245.3433

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC2=CC=CC=C2)SCC=C

Isomeric SMILES

CC1=NN=C(N1CC2=CC=CC=C2)SCC=C

InChI

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