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

Systemtic Name: 3-ethyl-5-(phenylmethylsulfanyl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-benzylsulfanyl-5-ethyl-1,2,4-triazole CAS Name: 3-ethyl-5-(phenylmethylthio)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-5-ethyl-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(benzylthio)-5-ethyl-1,2,4-triazole Formula: C14H17N3S MolecularWeight: 259.36988

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1CC=C)SCC2=CC=CC=C2

Isomeric SMILES

CCC1=NN=C(N1CC=C)SCC2=CC=CC=C2

InChI

InChI=1S/C14H17N3S/c1-3-10-17-13(4-2)15-16-14(17)18-11-12-8-6-5-7-9-12/h3,5-9H,1,4,10-11H2,2H3