3-phenethyl-5-prop-2-enylsulfanyl-1,2,4-triazol-4-amine

Systemtic Name: 3-phenethyl-5-prop-2-enylsulfanyl-1,2,4-triazol-4-amine Openeye Name: 3-allylsulfanyl-5-phenethyl-1,2,4-triazol-4-amine CAS Name: 3-phenethyl-5-(prop-2-enylthio)-1,2,4-triazol-4-amine IUPAC Name: 3-phenethyl-5-prop-2-enylsulfanyl-1,2,4-triazol-4-amine Traditional Name: [3-(allylthio)-5-phenethyl-1,2,4-triazol-4-yl]amine Formula: C13H16N4S MolecularWeight: 260.35794

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NN=C(N1N)CCC2=CC=CC=C2

Isomeric SMILES

C=CCSC1=NN=C(N1N)CCC2=CC=CC=C2

InChI

InChI=1S/C13H16N4S/c1-2-10-18-13-16-15-12(17(13)14)9-8-11-6-4-3-5-7-11/h2-7H,1,8-10,14H2