N-[5-[(4-methylidene-3-phenyl-hex-5-enyl)amino]-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide

Systemtic Name: N-[5-[(4-methylidene-3-phenyl-hex-5-enyl)amino]-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide Openeye Name: N-[5-[(4-methylene-3-phenyl-hex-5-enyl)amino]-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide CAS Name: N-[5-[(4-methylene-3-phenylhex-5-enyl)amino]-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide IUPAC Name: N-[5-[(4-methylidene-3-phenylhex-5-enyl)amino]-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide Traditional Name: N-[5-[(4-methylene-3-phenyl-hex-5-enyl)amino]-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide Formula: C22H21N5O3S MolecularWeight: 435.49884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CC(=C)C(CCNC1=NN=C(S1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

C=CC(=C)C(CCNC1=NN=C(S1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C22H21N5O3S/c1-3-15(2)19(16-8-5-4-6-9-16)12-13-23-21-25-26-22(31-21)24-20(28)17-10-7-11-18(14-17)27(29)30/h3-11,14,19H,1-2,12-13H2,(H,23,25)(H,24,26,28)