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

Systemtic Name: 3-methyl-N'-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]carbonyl-1-benzofuran-2-carbohydrazide Openeye Name: 3-methyl-N'-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoyl]benzofuran-2-carbohydrazide CAS Name: 3-methyl-N'-[oxo-[4-[(1H-1,2,4-triazol-5-ylthio)methyl]phenyl]methyl]-2-benzofurancarbohydrazide IUPAC Name: 3-methyl-N'-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoyl]-1-benzofuran-2-carbohydrazide Traditional Name: 3-methyl-N'-[4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzoyl]coumarilohydrazide Formula: C20H17N5O3S MolecularWeight: 407.44568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)NNC(=O)C3=CC=C(C=C3)CSC4=NC=NN4

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)NNC(=O)C3=CC=C(C=C3)CSC4=NC=NN4

InChI

InChI=1S/C20H17N5O3S/c1-12-15-4-2-3-5-16(15)28-17(12)19(27)24-23-18(26)14-8-6-13(7-9-14)10-29-20-21-11-22-25-20/h2-9,11H,10H2,1H3,(H,23,26)(H,24,27)(H,21,22,25)