1-methyl-5-(prop-2-enylamino)-N-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide

Systemtic Name: 1-methyl-5-(prop-2-enylamino)-N-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide Openeye Name: 5-(allylamino)-1-methyl-N-(2-thienylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide CAS Name: 1-methyl-5-(prop-2-enylamino)-N-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide IUPAC Name: 1-methyl-5-(prop-2-enylamino)-N-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide Traditional Name: 5-(allylamino)-1-methyl-N-(2-thenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide Formula: C17H22N4OS MolecularWeight: 330.44778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CC(CC2)NCC=C)C(=N1)C(=O)NCC3=CC=CS3

Isomeric SMILES

CN1C2=C(CC(CC2)NCC=C)C(=N1)C(=O)NCC3=CC=CS3

InChI

InChI=1S/C17H22N4OS/c1-3-8-18-12-6-7-15-14(10-12)16(20-21(15)2)17(22)19-11-13-5-4-9-23-13/h3-5,9,12,18H,1,6-8,10-11H2,2H3,(H,19,22)