3-heptyl-4-prop-2-enyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-heptyl-4-prop-2-enyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-allyl-3-heptyl-1H-1,2,4-triazole-5-thione CAS Name: 3-heptyl-4-prop-2-enyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-heptyl-4-prop-2-enyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-allyl-3-heptyl-1H-1,2,4-triazole-5-thione Formula: C12H21N3S MolecularWeight: 239.38024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=NNC(=S)N1CC=C

Isomeric SMILES

CCCCCCCC1=NNC(=S)N1CC=C

InChI

InChI=1S/C12H21N3S/c1-3-5-6-7-8-9-11-13-14-12(16)15(11)10-4-2/h4H,2-3,5-10H2,1H3,(H,14,16)