2-[5-ethylsulfanyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]ethanamine

Systemtic Name: 2-[5-ethylsulfanyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]ethanamine Openeye Name: 2-(4-benzyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)ethanamine CAS Name: 2-[5-(ethylthio)-4-(phenylmethyl)-1,2,4-triazol-3-yl]ethanamine IUPAC Name: 2-(4-benzyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)ethanamine Traditional Name: 2-[4-benzyl-5-(ethylthio)-1,2,4-triazol-3-yl]ethylamine Formula: C13H18N4S MolecularWeight: 262.37382

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1CC2=CC=CC=C2)CCN

Isomeric SMILES

CCSC1=NN=C(N1CC2=CC=CC=C2)CCN

InChI

InChI=1S/C13H18N4S/c1-2-18-13-16-15-12(8-9-14)17(13)10-11-6-4-3-5-7-11/h3-7H,2,8-10,14H2,1H3