N,N-bis(2-cyanoethyl)-2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N,N-bis(2-cyanoethyl)-2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-bis(2-cyanoethyl)acetamide CAS Name: N,N-bis(2-cyanoethyl)-2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N,N-bis(2-cyanoethyl)-2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N,N-bis(2-cyanoethyl)acetamide Formula: C16H20N6OS MolecularWeight: 344.4346

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)N(CCC#N)CCC#N)C2CC2

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)N(CCC#N)CCC#N)C2CC2

InChI

InChI=1S/C16H20N6OS/c1-2-9-22-15(13-5-6-13)19-20-16(22)24-12-14(23)21(10-3-7-17)11-4-8-18/h2,13H,1,3-6,9-12H2