4-(cyclopropylamino)-3-nitro-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: 4-(cyclopropylamino)-3-nitro-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-(cyclopropylamino)-3-nitro-benzamide CAS Name: 4-(cyclopropylamino)-3-nitro-N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-(cyclopropylamino)-3-nitrobenzamide Traditional Name: N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-4-(cyclopropylamino)-3-nitro-benzamide Formula: C19H17N5O3S2 MolecularWeight: 427.49998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=C(C=C(C=C2)C(=O)NC3=NN=C(S3)SCC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC2=C(C=C(C=C2)C(=O)NC3=NN=C(S3)SCC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H17N5O3S2/c25-17(13-6-9-15(20-14-7-8-14)16(10-13)24(26)27)21-18-22-23-19(29-18)28-11-12-4-2-1-3-5-12/h1-6,9-10,14,20H,7-8,11H2,(H,21,22,25)