5-(phenylmethylsulfanyl)-4-prop-2-enyl-1,2,4-triazol-3-amine

Systemtic Name: 5-(phenylmethylsulfanyl)-4-prop-2-enyl-1,2,4-triazol-3-amine Openeye Name: 4-allyl-5-benzylsulfanyl-1,2,4-triazol-3-amine CAS Name: 5-(phenylmethylthio)-4-prop-2-enyl-1,2,4-triazol-3-amine IUPAC Name: 5-benzylsulfanyl-4-prop-2-enyl-1,2,4-triazol-3-amine Traditional Name: [4-allyl-5-(benzylthio)-1,2,4-triazol-3-yl]amine Formula: C12H14N4S MolecularWeight: 246.33136

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC=CC=C2)N

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC=CC=C2)N

InChI

InChI=1S/C12H14N4S/c1-2-8-16-11(13)14-15-12(16)17-9-10-6-4-3-5-7-10/h2-7H,1,8-9H2,(H2,13,14)