N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-methyl-4-nitro-benzamide

Systemtic Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-methyl-4-nitro-benzamide Openeye Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-methyl-4-nitro-benzamide CAS Name: N-[5-[(4-cyanophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-3-methyl-4-nitrobenzamide IUPAC Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-methyl-4-nitrobenzamide Traditional Name: N-[5-[(4-cyanobenzyl)thio]-1,3,4-thiadiazol-2-yl]-3-methyl-4-nitro-benzamide Formula: C18H13N5O3S2 MolecularWeight: 411.45752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C18H13N5O3S2/c1-11-8-14(6-7-15(11)23(25)26)16(24)20-17-21-22-18(28-17)27-10-13-4-2-12(9-19)3-5-13/h2-8H,10H2,1H3,(H,20,21,24)