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

Systemtic Name: N-butan-2-yl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide Openeye Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-sec-butyl-benzamide CAS Name: N-butan-2-yl-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrobenzamide IUPAC Name: N-butan-2-yl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzamide Traditional Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-N-sec-butyl-benzamide Formula: C14H17N5O3S MolecularWeight: 335.38148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N5O3S/c1-4-9(2)16-13(20)10-5-6-12(11(7-10)19(21)22)23-14-17-15-8-18(14)3/h5-9H,4H2,1-3H3,(H,16,20)