(Z)-2-cyano-3-[(phenylmethyl)amino]but-2-enethioate

Systemtic Name: (Z)-2-cyano-3-[(phenylmethyl)amino]but-2-enethioate Openeye Name: (Z)-3-(benzylamino)-2-cyano-but-2-enethioate CAS Name: (Z)-2-cyano-3-[(phenylmethyl)amino]-2-butenethioate IUPAC Name: (Z)-3-(benzylamino)-2-cyanobut-2-enethioate Traditional Name: (Z)-3-(benzylamino)-2-cyano-but-2-enethioate Formula: C12H11N2OS- MolecularWeight: 231.29354

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=S)[O-])NCC1=CC=CC=C1

Isomeric SMILES

C/C(=C(\C#N)/C(=S)[O-])/NCC1=CC=CC=C1

InChI

InChI=1S/C12H12N2OS/c1-9(11(7-13)12(15)16)14-8-10-5-3-2-4-6-10/h2-6,14H,8H2,1H3,(H,15,16)/p-1/b11-9-