2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamine

Systemtic Name: 2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamine Openeye Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamine CAS Name: 2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]ethanamine IUPAC Name: 2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamine Traditional Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]ethylamine Formula: C13H16N4S MolecularWeight: 260.35794

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCCN)C2=CC=CC=C2

Isomeric SMILES

C=CCN1C(=NN=C1SCCN)C2=CC=CC=C2

InChI

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