2-isocyano-3,3-bis[[4-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)phenyl]amino]prop-2-enenitrile

Systemtic Name: 2-isocyano-3,3-bis[[4-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)phenyl]amino]prop-2-enenitrile Openeye Name: 2-isocyano-3,3-bis[4-(4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)anilino]prop-2-enenitrile CAS Name: 2-isocyano-3,3-bis[4-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)anilino]-2-propenenitrile IUPAC Name: 2-isocyano-3,3-bis[4-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)anilino]prop-2-enenitrile Traditional Name: 2-isocyano-3,3-bis[4-(4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)anilino]acrylonitrile Formula: C22H18N10S2 MolecularWeight: 486.57532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NNC1=S)C2=CC=C(C=C2)NC(=C(C#N)[N+]#[C-])NC3=CC=C(C=C3)C4=NNC(=S)N4C

Isomeric SMILES

CN1C(=NNC1=S)C2=CC=C(C=C2)NC(=C(C#N)[N+]#[C-])NC3=CC=C(C=C3)C4=NNC(=S)N4C

InChI

InChI=1S/C22H18N10S2/c1-24-17(12-23)18(25-15-8-4-13(5-9-15)19-27-29-21(33)31(19)2)26-16-10-6-14(7-11-16)20-28-30-22(34)32(20)3/h4-11,25-26H,2-3H3,(H,29,33)(H,30,34)