N'-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]carbonyl-5-nitro-1-benzothiophene-2-carbohydrazide

Systemtic Name: N'-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]carbonyl-5-nitro-1-benzothiophene-2-carbohydrazide Openeye Name: N'-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoyl]-5-nitro-benzothiophene-2-carbohydrazide CAS Name: N'-[[4-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]phenyl]-oxomethyl]-5-nitro-1-benzothiophene-2-carbohydrazide IUPAC Name: N'-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoyl]-5-nitro-1-benzothiophene-2-carbohydrazide Traditional Name: N'-[4-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]benzoyl]-5-nitro-benzothiophene-2-carbohydrazide Formula: C20H16N6O4S2 MolecularWeight: 468.50884

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCC2=CC=C(C=C2)C(=O)NNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SCC2=CC=C(C=C2)C(=O)NNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H16N6O4S2/c1-25-11-21-24-20(25)31-10-12-2-4-13(5-3-12)18(27)22-23-19(28)17-9-14-8-15(26(29)30)6-7-16(14)32-17/h2-9,11H,10H2,1H3,(H,22,27)(H,23,28)