(Z)-2-cyano-3-[(phenylmethyl)amino]but-2-enethioic S-acid

Systemtic Name: (Z)-2-cyano-3-[(phenylmethyl)amino]but-2-enethioic S-acid Openeye Name: (Z)-3-(benzylamino)-2-cyano-but-2-enethioic S-acid CAS Name: (Z)-2-cyano-3-[(phenylmethyl)amino]-2-butenethioic S-acid IUPAC Name: (Z)-3-(benzylamino)-2-cyanobut-2-enethioic S-acid Traditional Name: (Z)-3-(benzylamino)-2-cyano-but-2-enethioic S-acid Formula: C12H12N2OS MolecularWeight: 232.30148

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)S)NCC1=CC=CC=C1

Isomeric SMILES

C/C(=C(\C#N)/C(=O)S)/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)/b11-9-