4-[2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]-N-(2-methoxyphenyl)benzamide

Systemtic Name: 4-[2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]-N-(2-methoxyphenyl)benzamide Openeye Name: 4-[2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]-N-(2-methoxyphenyl)benzamide CAS Name: 4-[[2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-1-oxopropyl]amino]-N-(2-methoxyphenyl)benzamide IUPAC Name: 4-[2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]-N-(2-methoxyphenyl)benzamide Traditional Name: 4-[2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]propanoylamino]-N-(2-methoxyphenyl)benzamide Formula: C22H24N6O3S MolecularWeight: 452.52936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2OC)SC3=NN=C(N3N)C4CC4

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2OC)SC3=NN=C(N3N)C4CC4

InChI

InChI=1S/C22H24N6O3S/c1-13(32-22-27-26-19(28(22)23)14-7-8-14)20(29)24-16-11-9-15(10-12-16)21(30)25-17-5-3-4-6-18(17)31-2/h3-6,9-14H,7-8,23H2,1-2H3,(H,24,29)(H,25,30)