azepan-1-yl-[5-(2-methylsulfanylethylamino)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]methanone

Systemtic Name: azepan-1-yl-[5-(2-methylsulfanylethylamino)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]methanone Openeye Name: [1-allyl-5-(2-methylsulfanylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]-(azepan-1-yl)methanone CAS Name: 1-azepanyl-[5-[2-(methylthio)ethylamino]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]methanone IUPAC Name: azepan-1-yl-[5-(2-methylsulfanylethylamino)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]methanone Traditional Name: [1-allyl-5-[2-(methylthio)ethylamino]-4,5,6,7-tetrahydroindazol-3-yl]-(azepan-1-yl)methanone Formula: C20H32N4OS MolecularWeight: 376.55928

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Descriptors Computed from Structure

Canonical SMILES:

CSCCNC1CCC2=C(C1)C(=NN2CC=C)C(=O)N3CCCCCC3

Isomeric SMILES

CSCCNC1CCC2=C(C1)C(=NN2CC=C)C(=O)N3CCCCCC3

InChI

InChI=1S/C20H32N4OS/c1-3-11-24-18-9-8-16(21-10-14-26-2)15-17(18)19(22-24)20(25)23-12-6-4-5-7-13-23/h3,16,21H,1,4-15H2,2H3