4-chloranyl-N-[1-[4-ethyl-5-[2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide

Systemtic Name: 4-chloranyl-N-[1-[4-ethyl-5-[2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide Openeye Name: 4-chloro-N-[1-[4-ethyl-5-[2-[(5-nitrothiazol-2-yl)amino]-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide CAS Name: 4-chloro-N-[1-[4-ethyl-5-[[2-[(5-nitro-2-thiazolyl)amino]-2-oxoethyl]thio]-1,2,4-triazol-3-yl]ethyl]benzamide IUPAC Name: 4-chloro-N-[1-[4-ethyl-5-[2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide Traditional Name: 4-chloro-N-[1-[4-ethyl-5-[[2-keto-2-[(5-nitrothiazol-2-yl)amino]ethyl]thio]-1,2,4-triazol-3-yl]ethyl]benzamide Formula: C18H18ClN7O4S2 MolecularWeight: 495.96302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=NC=C(S2)[N+](=O)[O-])C(C)NC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=NC=C(S2)[N+](=O)[O-])C(C)NC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H18ClN7O4S2/c1-3-25-15(10(2)21-16(28)11-4-6-12(19)7-5-11)23-24-18(25)31-9-13(27)22-17-20-8-14(32-17)26(29)30/h4-8,10H,3,9H2,1-2H3,(H,21,28)(H,20,22,27)