3-methyl-N'-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]carbonyl-1-benzothiophene-2-carbohydrazide

Systemtic Name: 3-methyl-N'-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]carbonyl-1-benzothiophene-2-carbohydrazide Openeye Name: 3-methyl-N'-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoyl]benzothiophene-2-carbohydrazide CAS Name: 3-methyl-N'-[[4-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]phenyl]-oxomethyl]-1-benzothiophene-2-carbohydrazide IUPAC Name: 3-methyl-N'-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoyl]-1-benzothiophene-2-carbohydrazide Traditional Name: 3-methyl-N'-[4-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]benzoyl]benzothiophene-2-carbohydrazide Formula: C21H19N5O2S2 MolecularWeight: 437.53786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(=O)NNC(=O)C3=CC=C(C=C3)CSC4=NN=CN4C

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(=O)NNC(=O)C3=CC=C(C=C3)CSC4=NN=CN4C

InChI

InChI=1S/C21H19N5O2S2/c1-13-16-5-3-4-6-17(16)30-18(13)20(28)24-23-19(27)15-9-7-14(8-10-15)11-29-21-25-22-12-26(21)2/h3-10,12H,11H2,1-2H3,(H,23,27)(H,24,28)