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

Systemtic Name: N-(4-ethoxyphenyl)-4-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]benzamide Openeye Name: N-(4-ethoxyphenyl)-4-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]benzamide CAS Name: N-(4-ethoxyphenyl)-4-[[2-[(4-methyl-1,2,4-triazol-3-yl)thio]-1-oxopropyl]amino]benzamide IUPAC Name: N-(4-ethoxyphenyl)-4-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]benzamide Traditional Name: 4-[2-[(4-methyl-1,2,4-triazol-3-yl)thio]propanoylamino]-N-p-phenetyl-benzamide Formula: C21H23N5O3S MolecularWeight: 425.50402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C(C)SC3=NN=CN3C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C(C)SC3=NN=CN3C

InChI

InChI=1S/C21H23N5O3S/c1-4-29-18-11-9-17(10-12-18)24-20(28)15-5-7-16(8-6-15)23-19(27)14(2)30-21-25-22-13-26(21)3/h5-14H,4H2,1-3H3,(H,23,27)(H,24,28)