N'-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]carbonyl-1,3-benzodioxole-5-carbohydrazide

Systemtic Name: N'-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]carbonyl-1,3-benzodioxole-5-carbohydrazide Openeye Name: N'-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoyl]-1,3-benzodioxole-5-carbohydrazide CAS Name: N'-[oxo-[4-[(1H-1,2,4-triazol-5-ylthio)methyl]phenyl]methyl]-1,3-benzodioxole-5-carbohydrazide IUPAC Name: N'-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoyl]-1,3-benzodioxole-5-carbohydrazide Traditional Name: N'-[4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzoyl]-1,3-benzodioxole-5-carbohydrazide Formula: C18H15N5O4S MolecularWeight: 397.4078

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NNC(=O)C3=CC=C(C=C3)CSC4=NC=NN4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NNC(=O)C3=CC=C(C=C3)CSC4=NC=NN4

InChI

InChI=1S/C18H15N5O4S/c24-16(12-3-1-11(2-4-12)8-28-18-19-9-20-23-18)21-22-17(25)13-5-6-14-15(7-13)27-10-26-14/h1-7,9H,8,10H2,(H,21,24)(H,22,25)(H,19,20,23)