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

Systemtic Name: N,N-bis(2-cyanoethyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-bis(2-cyanoethyl)acetamide CAS Name: N,N-bis(2-cyanoethyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N,N-bis(2-cyanoethyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N,N-bis(2-cyanoethyl)acetamide Formula: C19H20N6OS MolecularWeight: 380.4667

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)N(CCC#N)CCC#N)C2=CC=CC=C2

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)N(CCC#N)CCC#N)C2=CC=CC=C2

InChI

InChI=1S/C19H20N6OS/c1-2-12-25-18(16-8-4-3-5-9-16)22-23-19(25)27-15-17(26)24(13-6-10-20)14-7-11-21/h2-5,8-9H,1,6-7,12-15H2