4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide

Systemtic Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide Openeye Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide CAS Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide IUPAC Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide Traditional Name: N-(5-amyl-1,3,4-thiadiazol-2-yl)-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzamide Formula: C17H19N7O3S2 MolecularWeight: 433.50786

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2)SC3=NN=CN3C)[N+](=O)[O-]

Isomeric SMILES

CCCCCC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2)SC3=NN=CN3C)[N+](=O)[O-]

InChI

InChI=1S/C17H19N7O3S2/c1-3-4-5-6-14-20-21-16(29-14)19-15(25)11-7-8-13(12(9-11)24(26)27)28-17-22-18-10-23(17)2/h7-10H,3-6H2,1-2H3,(H,19,21,25)