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

Systemtic Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-pentan-3-yl-benzamide Openeye Name: N-(1-ethylpropyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide CAS Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-N-pentan-3-ylbenzamide IUPAC Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-pentan-3-ylbenzamide Traditional Name: N-(1-ethylpropyl)-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzamide Formula: C15H19N5O3S MolecularWeight: 349.40806

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)C1=CC(=C(C=C1)SC2=NN=CN2C)[N+](=O)[O-]

Isomeric SMILES

CCC(CC)NC(=O)C1=CC(=C(C=C1)SC2=NN=CN2C)[N+](=O)[O-]

InChI

InChI=1S/C15H19N5O3S/c1-4-11(5-2)17-14(21)10-6-7-13(12(8-10)20(22)23)24-15-18-16-9-19(15)3/h6-9,11H,4-5H2,1-3H3,(H,17,21)